N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclohexanecarboxamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | P895-0133 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclohexanecarboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1008 |
| logD: | 4.1008 |
| logSw: | -4.1824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.733 |
| InChI Key: | GKZPEDCQYJTHST-UHFFFAOYSA-N |