1-(4-nitrobenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
Chemical Structure Depiction of
1-(4-nitrobenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
1-(4-nitrobenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
Compound characteristics
| Compound ID: | Y502-9551 |
| Compound Name: | 1-(4-nitrobenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine |
| Molecular Weight: | 429.42 |
| Molecular Formula: | C18 H18 F3 N3 O4 S |
| Smiles: | C1CN(CCN1Cc1cccc(c1)C(F)(F)F)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3722 |
| logD: | 3.3713 |
| logSw: | -3.7426 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.871 |
| InChI Key: | KXQKTXADQUWWTA-UHFFFAOYSA-N |