N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
N-(3,5-dimethoxyphenyl)-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: | M435-1979 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5867 |
| logD: | -0.0945 |
| logSw: | -4.0296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.52 |
| InChI Key: | ZISVRRUCOYKSNR-UHFFFAOYSA-N |