N-(2,5-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(2,5-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
Compound ID: | P617-0422 |
Compound Name: | N-(2,5-dimethoxyphenyl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
Molecular Weight: | 435.5 |
Molecular Formula: | C23 H21 N3 O4 S |
Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(Nc1cc(ccc1OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8298 |
logD: | 3.7998 |
logSw: | -3.9674 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.017 |
InChI Key: | OQOQNOAITNWGOK-UHFFFAOYSA-N |