N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0323 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-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: | CN1C(c2cccnc2Sc2cc(ccc12)C(NCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3527 |
| logD: | 2.3527 |
| logSw: | -3.0113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | AEYNKKKVGVBIRA-UHFFFAOYSA-N |