3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V009-3036 |
| Compound Name: | 3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C18 H16 N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2385 |
| logD: | 3.2385 |
| logSw: | -3.1815 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.817 |
| InChI Key: | YBBQYANYMWHUQJ-UHFFFAOYSA-N |