1-(2,5-dimethylbenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
Chemical Structure Depiction of
1-(2,5-dimethylbenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
1-(2,5-dimethylbenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine
Compound characteristics
| Compound ID: | Y502-4997 |
| Compound Name: | 1-(2,5-dimethylbenzene-1-sulfonyl)-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H23 F3 N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CC1)Cc1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2066 |
| logD: | 4.2058 |
| logSw: | -4.2096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.49 |
| InChI Key: | DLXQELHBKMMLGL-UHFFFAOYSA-N |