6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0994 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 580.63 |
| Molecular Formula: | C27 H31 F3 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.435 |
| logD: | 3.435 |
| logSw: | -3.9789 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.763 |
| InChI Key: | IRUCUTLZNZYFJK-UHFFFAOYSA-N |