Cas no 883864-73-1 (Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]-)
![Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]- structure](https://ossimg.kuujia.com/scimg/884000/883864-73-1x500.png)
883864-73-1 structure
Product Name:Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]-
CAS No:883864-73-1
MF:C14H12N4O3S
MW:316.335081100464
CID:1922756
PubChem ID:59255862
Update Time:2025-04-21
Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]-
- acetamide,n-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzo[d]thiazolyl]-
- 883864-73-1
- SCHEMBL3273615
-
- Inchi： 1S/C14H12N4O3S/c1-7(19)17-14-18-10-3-2-9(12(21)13(10)22-14)11(20)8-4-15-6-16-5-8/h4-6,9H,2-3H2,1H3,(H,17,18,19)
- InChI Key： PKRXAWAAALWYGH-UHFFFAOYSA-N
- SMILES： S1C(NC(C)=O)=NC2=C1C(C(C(C1=CN=CN=C1)=O)CC2)=O
Computed Properties
- Exact Mass: 316.06301143Da
- Monoisotopic Mass: 316.06301143Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 481
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 130?2
Acetamide,N-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzothiazolyl]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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