2-(3,4-difluorophenoxy)-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
Chemical Structure Depiction of
2-(3,4-difluorophenoxy)-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
2-(3,4-difluorophenoxy)-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
Compound characteristics
| Compound ID: | P895-0250 |
| Compound Name: | 2-(3,4-difluorophenoxy)-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C22 H17 F2 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(COc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3327 |
| logD: | 4.3327 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.826 |
| InChI Key: | MSEPIPYUIVMJDW-UHFFFAOYSA-N |