Cas no 827609-74-5 (Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]-)
![Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]- structure](https://ossimg.kuujia.com/scimg/828000/827609-74-5x500.png)
827609-74-5 structure
Product Name:Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]-
CAS No:827609-74-5
MF:C25H22N2O7S
MW:494.516385555267
CID:716006
PubChem ID:45119699
Update Time:2025-04-19
Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]-
- 4-[3-(benzenesulfonyl)-4-[5-(diethylamino)furan-2-yl]-2,5-dioxopyrrol-1-yl]benzoic acid
- 827609-74-5
-
- Inchi： 1S/C25H22N2O7S/c1-3-26(4-2)20-15-14-19(34-20)21-22(35(32,33)18-8-6-5-7-9-18)24(29)27(23(21)28)17-12-10-16(11-13-17)25(30)31/h5-15H,3-4H2,1-2H3,(H,30,31)
- InChI Key： ITLWHVDRUKKUDU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C(N(C2C=CC(C(=O)O)=CC=2)C(C=1C1=CC=C(N(CC)CC)O1)=O)=O)(=O)=O
Computed Properties
- Exact Mass: 494.115
- Monoisotopic Mass: 494.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 35
- Rotatable Bond Count: 8
- Complexity: 968
- 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: 134A^2
- XLogP3: 3.5
Benzoic acid,4-[3-[5-(diethylamino)-2-furanyl]-2,5-dihydro-2,5-dioxo-4-(phenylsulfonyl)-1H-pyrrol-1-yl]- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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