2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4552-4996 |
| Compound Name: | 2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C27 H29 N3 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6199 |
| logD: | 2.3382 |
| logSw: | -5.4094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.565 |
| InChI Key: | WEPDDVLQCQVJMX-DEOSSOPVSA-N |