2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | G856-6173 |
| Compound Name: | 2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-phenyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 463 |
| Molecular Formula: | C24 H23 Cl N6 S |
| Smiles: | C1CN(CCN1CN1C(N(C(c2ccncc2)=N1)c1ccccc1)=S)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0468 |
| logD: | 4.0242 |
| logSw: | -4.4932 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.342 |
| InChI Key: | GQFXAPGJXRPGAH-UHFFFAOYSA-N |