N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1468 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 432.92 |
| Molecular Formula: | C21 H21 Cl N2 O4 S |
| Smiles: | CC1CCc2c3C(=C(C(Nc4cc(C)c(cc4OC)[Cl])=O)C(Nc3sc2C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5348 |
| logD: | 0.8537 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.034 |
| InChI Key: | NVEIMXWVEUISKG-SECBINFHSA-N |