N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(4-fluorophenyl)acetamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | P895-0197 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9153 |
| logD: | 3.9153 |
| logSw: | -4.0012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.327 |
| InChI Key: | LQKIUMXTDQOIAS-UHFFFAOYSA-N |