N-(4-cyanophenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(4-cyanophenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0438 |
| Compound Name: | N-(4-cyanophenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C22 H16 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6026 |
| logD: | 3.5828 |
| logSw: | -3.888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.597 |
| InChI Key: | IMGDZYULOKXCBW-UHFFFAOYSA-N |