5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0434 |
| Compound Name: | 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 333.84 |
| Molecular Formula: | C15 H16 Cl N5 S |
| Smiles: | Cc1cccc(c1)n1c(Cn2c(C)c(c(C)n2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.3623 |
| logD: | 1.103 |
| logSw: | -3.2875 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.987 |
| InChI Key: | VXFHUSWCGIDOEM-UHFFFAOYSA-N |