4-benzyl-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0372 |
| Compound Name: | 4-benzyl-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 333.84 |
| Molecular Formula: | C15 H16 Cl N5 S |
| Smiles: | Cc1c(c(C)n(Cc2nnc(n2Cc2ccccc2)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2131 |
| logD: | 1.7887 |
| logSw: | -3.0962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.244 |
| InChI Key: | OETBIAILIAEMEQ-UHFFFAOYSA-N |