4-(4-methoxyphenyl)-3-(propan-2-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(4-methoxyphenyl)-3-(propan-2-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
4-(4-methoxyphenyl)-3-(propan-2-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-8744 |
| Compound Name: | 4-(4-methoxyphenyl)-3-(propan-2-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 407.46 |
| Molecular Formula: | C20 H20 F3 N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)OC)SCc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4506 |
| logD: | 5.4501 |
| logSw: | -5.5592 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.528 |
| InChI Key: | HIIQRFGIGCJNSD-UHFFFAOYSA-N |