5-(3,4-dimethoxyphenyl)-2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8011-0735 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 515.68 |
| Molecular Formula: | C29 H33 N5 O2 S |
| Smiles: | CN1C(c2ccc(c(c2)OC)OC)=NN(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6931 |
| logD: | 4.268 |
| logSw: | -4.4308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.124 |
| InChI Key: | KFMNVDYWNPTLES-UHFFFAOYSA-N |