Cas no 6195-80-8 (2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide)
![2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide structure](https://ossimg.kuujia.com/scimg/6500/6195-80-8x500.png)
6195-80-8 structure
Product Name:2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
CAS No:6195-80-8
MF:C26H23N3O4S
MW:473.543524980545
CID:1632928
PubChem ID:5202265
Update Time:2025-04-21
2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
- 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide
- 6195-80-8
- SR-01000557813
- 2-{[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}-N-ETHYL-N-(3-METHYLPHENYL)ACETAMIDE
- AKOS002086466
- DTXSID00409599
- Oprea1_435535
- SR-01000557813-1
-
- Inchi： 1S/C26H23N3O4S/c1-3-28(18-8-6-7-17(2)13-18)24(30)15-34-26-27-21-10-5-4-9-20(21)25(31)29(26)19-11-12-22-23(14-19)33-16-32-22/h4-14H,3,15-16H2,1-2H3
- InChI Key： IJOIKXKFAMYOBG-UHFFFAOYSA-N
- SMILES： S(CC(N(CC)C1C=CC=C(C)C=1)=O)C1=NC2C=CC=CC=2C(N1C1=CC=C2C(=C1)OCO2)=O
Computed Properties
- Exact Mass: 473.14109
- Monoisotopic Mass: 473.140927
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 792
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 96.7
- XLogP3: 5
Experimental Properties
- Density: 1.33
- Boiling Point: 676.1°C at 760 mmHg
- Flash Point: 362.7°C
- Refractive Index: 1.67
- PSA: 71.44
2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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