N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
Compound characteristics
| Compound ID: | V010-0746 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(Nc2c(C)cccc2C)=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6958 |
| logD: | 4.6958 |
| logSw: | -4.3785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.19 |
| InChI Key: | LNNNQWUZSMHWLW-UHFFFAOYSA-N |