AC1LL8QH
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: ChemDiv3_004634|Oprea1_790977|IDI1_022544|BAS 05594514|AB00674104-01|BRD-K95632464-001-01-8|2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide|2-(3-cyano-7,7-dimethyl-5-oxo(2-6,7,8-trihydroquinolylthio))-N-(3-methylphenyl )acetamide|2-((3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(m-tolyl)acetamide|2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.13544 g/mol |
| LogP | 4.1476 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Monoisotopic Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 960.38446 |
Chemical Identifiers
| CAS Number | 684237-79-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CC(C3)(C)C |
Product Overview
AC1LL8QH (CAS 684237-79-4), with molecular formula C21H21N3O2S and molecular weight 379.13544 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide.