5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7997 |
| Compound Name: | 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 387.36 |
| Molecular Formula: | C15 H13 F4 N5 O S |
| Smiles: | COc1ccc(cc1)n1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.5116 |
| logD: | 0.2523 |
| logSw: | -1.9613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.208 |
| InChI Key: | JNWWMKZEIWMXBJ-UHFFFAOYSA-N |