5-(phenoxymethyl)-4-phenyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(phenoxymethyl)-4-phenyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(phenoxymethyl)-4-phenyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-4545 |
| Compound Name: | 5-(phenoxymethyl)-4-phenyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C27 H26 F3 N5 O S |
| Smiles: | C1CN(CCN1CN1C(N(C(COc2ccccc2)=N1)c1ccccc1)=S)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1848 |
| logD: | 4.5835 |
| logSw: | -5.5395 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.268 |
| InChI Key: | JAFLLZSWXQRZLN-UHFFFAOYSA-N |