5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-4550 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 545.67 |
| Molecular Formula: | C28 H34 F3 N5 O S |
| Smiles: | CN1C(COc2ccc(cc2)C2CCCCC2)=NN(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3142 |
| logD: | 4.2072 |
| logSw: | -5.7149 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.838 |
| InChI Key: | DRDPSVXOFIGXJX-UHFFFAOYSA-N |