N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-phenylpropanamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | P895-0223 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-phenylpropanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3734 |
| logD: | 4.3734 |
| logSw: | -4.2455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.327 |
| InChI Key: | HTGNCJZSXISXBF-UHFFFAOYSA-N |