N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | P618-0484 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C23 H20 F N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(Cc3ccc(cc3)F)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4357 |
| logD: | 3.4357 |
| logSw: | -3.8405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.649 |
| InChI Key: | FBCKWASNLNNSHB-UHFFFAOYSA-N |