N-(4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0249 |
| Compound Name: | N-(4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C20 H14 F N3 O2 S |
| Smiles: | CN1C(c2cccnc2Sc2cc(ccc12)C(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.101 |
| logD: | 3.0937 |
| logSw: | -3.764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.582 |
| InChI Key: | ITQRHTHSUCBBFN-UHFFFAOYSA-N |