4-(butan-2-yl)-5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(butan-2-yl)-5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-(butan-2-yl)-5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4890 |
| Compound Name: | 4-(butan-2-yl)-5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 285.8 |
| Molecular Formula: | C11 H16 Cl N5 S |
| Smiles: | CCC(C)n1c(CCn2cc(cn2)[Cl])nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.755 |
| logD: | 1.6658 |
| logSw: | -1.9272 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.378 |
| InChI Key: | ILWBVGREUWLPIA-QMMMGPOBSA-N |