3-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
Chemical Structure Depiction of
3-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
3-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
Compound characteristics
| Compound ID: | P618-0482 |
| Compound Name: | 3-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cccc(C#N)c3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1424 |
| logD: | 3.1424 |
| logSw: | -3.6054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.919 |
| InChI Key: | RTRIRBJQRVXGAJ-UHFFFAOYSA-N |