5-(difluoromethyl)-4-{[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-{[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-{[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9892 |
| Compound Name: | 5-(difluoromethyl)-4-{[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 458.41 |
| Molecular Formula: | C19 H15 F5 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2S)cc1COc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6669 |
| logD: | 2.921 |
| logSw: | -3.938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.208 |
| InChI Key: | CKBQEZIHYAYFMO-UHFFFAOYSA-N |