N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | P618-0499 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,6-dimethoxybenzamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3c(cccc3OC)OC)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9171 |
| logD: | 2.916 |
| logSw: | -3.5439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.123 |
| InChI Key: | AOJWLAYXBRMCFJ-UHFFFAOYSA-N |