5-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5684 |
| Compound Name: | 5-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 468.42 |
| Molecular Formula: | C22 H22 Br N5 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)c2nnc(n2CCc2ccccc2)S)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3178 |
| logD: | 3.9734 |
| logSw: | -4.4091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.975 |
| InChI Key: | RZHVSORMPSAGJT-UHFFFAOYSA-N |