N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | P895-0165 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-methoxybenzamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9797 |
| logD: | 3.9797 |
| logSw: | -4.0725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.084 |
| InChI Key: | JYMDFBNQJQEKDH-UHFFFAOYSA-N |