3-(3-nitrophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(3-nitrophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
3-(3-nitrophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-2054 |
| Compound Name: | 3-(3-nitrophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C20 H18 F3 N3 O3 |
| Smiles: | C1CN(CCN1C(/C=C/c1cccc(c1)[N+]([O-])=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1503 |
| logD: | 4.1503 |
| logSw: | -4.3418 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.001 |
| InChI Key: | MQZJZZGCSXRWOV-UHFFFAOYSA-N |