N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dimethoxybenzamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | P618-0465 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cccc(c3OC)OC)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6287 |
| logD: | 3.6286 |
| logSw: | -3.8719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.21 |
| InChI Key: | YXFNYQOMLFHFRY-UHFFFAOYSA-N |