4-({[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-9302 |
| Compound Name: | 4-({[4-(4-methoxyphenyl)-5-(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: | Cc1ccccc1c1nnc(n1c1ccc(cc1)OC)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8323 |
| logD: | 4.8323 |
| logSw: | -4.6079 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.313 |
| InChI Key: | QYRZFKYILFXPLO-UHFFFAOYSA-N |