3-(4-tert-butylphenyl)-4-cyclohexyl-5-({[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-4-cyclohexyl-5-({[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(4-tert-butylphenyl)-4-cyclohexyl-5-({[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8011-9590 |
| Compound Name: | 3-(4-tert-butylphenyl)-4-cyclohexyl-5-({[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C27 H31 F4 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C1CCCCC1)SCc1ccc(cc1)OC(C(F)F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 8.0285 |
| logD: | 8.0285 |
| logSw: | -5.7488 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.5675 |
| InChI Key: | PRUIOWUHAIZJNE-UHFFFAOYSA-N |