N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0455 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2289 |
| logD: | 3.2289 |
| logSw: | -3.6118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.123 |
| InChI Key: | VTCIBFPRLQSVOU-UHFFFAOYSA-N |