5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-5990 |
| Compound Name: | 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 378.29 |
| Molecular Formula: | C15 H16 Br N5 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2c2ccccc2)S)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1672 |
| logD: | 0.9079 |
| logSw: | -1.9224 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.966 |
| InChI Key: | MMKSAIIOHCJHIV-UHFFFAOYSA-N |