N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V015-2591 |
| Compound Name: | N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 605.66 |
| Molecular Formula: | C32 H27 F4 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C(Cc2ccccc2)NC(Nc2ccc(cc2)C(F)(F)F)=O)nnc1SCc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1715 |
| logD: | 7.1715 |
| logSw: | -5.7597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.968 |
| InChI Key: | LPJKVVDUAXBUKI-NDEPHWFRSA-N |