5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7998 |
| Compound Name: | 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 371.36 |
| Molecular Formula: | C15 H13 F4 N5 S |
| Smiles: | Cc1ccc(cc1)n1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.9526 |
| logD: | 0.6933 |
| logSw: | -1.8747 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.664 |
| InChI Key: | RWOJVZNUCLVYOH-UHFFFAOYSA-N |