2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-0509 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)OC)nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.5978 |
| logD: | 5.5978 |
| logSw: | -5.5619 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.313 |
| InChI Key: | WVDKPGZGNGCYTH-UHFFFAOYSA-N |