N-(4-fluoro-3-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-fluoro-3-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-fluoro-3-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: | M435-2013 |
| Compound Name: | N-(4-fluoro-3-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: | 386.44 |
| Molecular Formula: | C20 H19 F N2 O3 S |
| Smiles: | Cc1cc(ccc1F)NC(C1=C(c2c3CCCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9055 |
| logD: | 0.2243 |
| logSw: | -4.2405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.432 |
| InChI Key: | XUTPHWGBVFZRSQ-UHFFFAOYSA-N |