2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-4035 |
| Compound Name: | 2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3755 |
| logD: | 2.6372 |
| logSw: | -5.377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.091 |
| InChI Key: | WMVAFWBVTFLKSD-SANMLTNESA-N |