N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | P895-0207 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9198 |
| logD: | 3.9198 |
| logSw: | -3.983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.656 |
| InChI Key: | XUDOHMYRXJEVRW-UHFFFAOYSA-N |