5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0035 |
| Compound Name: | 5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H21 F3 N4 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7845 |
| logD: | 3.7844 |
| logSw: | -4.1722 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.106 |
| InChI Key: | YBRDGXFTNUITRL-UHFFFAOYSA-N |