N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-4-hydroxy-2-oxo-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
N-(2-bromo-4-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: | M435-1943 |
| Compound Name: | N-(2-bromo-4-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: | 447.35 |
| Molecular Formula: | C20 H19 Br N2 O3 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4273 |
| logD: | 0.7461 |
| logSw: | -4.4221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.735 |
| InChI Key: | XVGLJHBGQFHKLB-UHFFFAOYSA-N |