4-[({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9830 |
| Compound Name: | 4-[({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C17 H17 Cl F2 N6 O S |
| Smiles: | Cc1c(c(C)n(Cc2cc(/C=N/n3c(C(F)F)nnc3S)ccc2OC)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.216 |
| logD: | 1.4701 |
| logSw: | -3.4627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.262 |
| InChI Key: | WPXGMCJFUVLOLM-UHFFFAOYSA-N |