5-(3-methoxyphenyl)-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-(3-methoxyphenyl)-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3-methoxyphenyl)-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: | 8008-4542 |
| Compound Name: | 5-(3-methoxyphenyl)-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 463.52 |
| Molecular Formula: | C22 H24 F3 N5 O S |
| Smiles: | CN1C(c2cccc(c2)OC)=NN(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3067 |
| logD: | 3.792 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.106 |
| InChI Key: | SZOSVWKQHCAYER-UHFFFAOYSA-N |