ChemDiv1_028822
2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: ChemDiv1_028822|Oprea1_309232|Oprea1_870146|HMS668O02|2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide|SR-01000484756-1|2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide|F1155-0378|2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide|2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide|2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide|2-{[4-(2H-1,3-BENZODIOXOL-5-YL)-3-CYANO-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLIN-2-YL]SULFANYL}-N-(2-ETHYLPHENYL)ACETAMIDE
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.1566 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.1566 |
| Monoisotopic Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 967.0 |
Chemical Identifiers
| CAS Number | 369396-58-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C#N |
| InChIKey | UISBRRSHOFJLRB-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028822 (CAS 369396-58-7), with molecular formula C27H25N3O4S and molecular weight 487.1566 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
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