3-({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5862 |
| Compound Name: | 3-({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C24 H20 N4 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cccc(C)c2)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7568 |
| logD: | 5.7568 |
| logSw: | -5.6494 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | OTVYHYCQPULSMU-UHFFFAOYSA-N |