5-benzoyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
Chemical Structure Depiction of
5-benzoyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
5-benzoyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | P056-0662 |
| Compound Name: | 5-benzoyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C23 H22 N2 O2 S2 |
| Smiles: | CSc1ccc(CNC(c2cc3CN(CCc3s2)C(c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2193 |
| logD: | 4.2193 |
| logSw: | -4.156 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.98 |
| InChI Key: | UUVASCYTZHHXSU-UHFFFAOYSA-N |