4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-8735 |
| Compound Name: | 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C24 H20 N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8227 |
| logD: | 4.8227 |
| logSw: | -4.7072 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.745 |
| InChI Key: | XUHAOCHUDPUFRP-UHFFFAOYSA-N |