4-hydroxy-2-oxo-N-[4-(propan-2-yl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
4-hydroxy-2-oxo-N-[4-(propan-2-yl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
4-hydroxy-2-oxo-N-[4-(propan-2-yl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1986 |
| Compound Name: | 4-hydroxy-2-oxo-N-[4-(propan-2-yl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7858 |
| logD: | 1.1046 |
| logSw: | -4.5091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.432 |
| InChI Key: | RNCHLSIMDIUGSY-UHFFFAOYSA-N |