5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8566 |
| Compound Name: | 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 285.8 |
| Molecular Formula: | C11 H16 Cl N5 S |
| Smiles: | CC(C)Cn1c(CCn2cc(cn2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.9172 |
| logD: | 1.7095 |
| logSw: | -2.2039 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.718 |
| InChI Key: | SPELZCFUIZVKKJ-UHFFFAOYSA-N |