N-(4-fluoro-3-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(4-fluoro-3-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(4-fluoro-3-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0305 |
| Compound Name: | N-(4-fluoro-3-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H16 F N3 O2 S |
| Smiles: | Cc1cc(ccc1F)NC(c1ccc2c(c1)Sc1c(cccn1)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5298 |
| logD: | 3.525 |
| logSw: | -3.8598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.582 |
| InChI Key: | ORFSNDPUGLICCB-UHFFFAOYSA-N |