3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-1316 |
| Compound Name: | 3-({[5-(4-methoxyphenyl)-4-(2-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: | Cc1ccccc1n1c(c2ccc(cc2)OC)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3055 |
| logD: | 5.3055 |
| logSw: | -5.4218 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.012 |
| InChI Key: | LARAAYUKWOEHNM-UHFFFAOYSA-N |