N-(3-butoxyphenyl)-2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-butoxyphenyl)-2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetamide
N-(3-butoxyphenyl)-2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 4552-5482 |
| Compound Name: | N-(3-butoxyphenyl)-2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CCCCOc1cccc(c1)NC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7587 |
| logD: | 5.7032 |
| logSw: | -5.3123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.483 |
| InChI Key: | OPKWYZGRCAKZOL-HSZRJFAPSA-N |