N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V015-2115 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C25 H22 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(Nc2ccc(cc2)C(F)(F)F)=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4157 |
| logD: | 5.4157 |
| logSw: | -5.4274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.585 |
| InChI Key: | IWBLRBSWEOGQOY-UHFFFAOYSA-N |