4-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-fluorobenzamide
Chemical Structure Depiction of
4-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-fluorobenzamide
4-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | P618-0515 |
| Compound Name: | 4-cyano-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-fluorobenzamide |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C23 H17 F N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccc(C#N)cc3F)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8439 |
| logD: | 3.8438 |
| logSw: | -3.9724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.919 |
| InChI Key: | ZCNIJSYCWAMQKW-UHFFFAOYSA-N |