N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1987 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 432.92 |
| Molecular Formula: | C21 H21 Cl N2 O4 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5968 |
| logD: | 0.9156 |
| logSw: | -4.5534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.365 |
| InChI Key: | VMKGXBWXTJCVQE-UHFFFAOYSA-N |