6-ethyl-N-[(3-fluorophenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
6-ethyl-N-[(3-fluorophenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
6-ethyl-N-[(3-fluorophenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0445 |
| Compound Name: | 6-ethyl-N-[(3-fluorophenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7781 |
| logD: | 3.7781 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.863 |
| InChI Key: | LCXQCTQWQXLPIB-UHFFFAOYSA-N |