6-(morpholine-4-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-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0731 |
| Compound Name: | 6-(morpholine-4-sulfonyl)-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 568.57 |
| Molecular Formula: | C25 H27 F3 N4 O6 S |
| Smiles: | C1CN(CCN1C(CN1C(COc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.9496 |
| logD: | 1.9496 |
| logSw: | -2.7331 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.34 |
| InChI Key: | UNHHHYYFRZBWKC-UHFFFAOYSA-N |