N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-3,5-dimethoxybenzamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | P618-0494 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-3,5-dimethoxybenzamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cc(cc(c3)OC)OC)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7867 |
| logD: | 3.7867 |
| logSw: | -3.9417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.95 |
| InChI Key: | WBMRYWRGDCBWMJ-UHFFFAOYSA-N |