N-(5-chloro-2-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-(5-chloro-2-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
N-(5-chloro-2-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: | M435-1949 |
| Compound Name: | N-(5-chloro-2-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: | 402.9 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.103 |
| logD: | 0.4218 |
| logSw: | -4.4628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.735 |
| InChI Key: | QCYHERSRBWJECI-UHFFFAOYSA-N |