2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V007-5315 |
| Compound Name: | 2-({[5-benzyl-4-(2-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: | Cc1ccccc1n1c(Cc2ccccc2)nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.184 |
| logD: | 5.184 |
| logSw: | -5.2793 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.444 |
| InChI Key: | BYXXLNYPKYHSMU-UHFFFAOYSA-N |