3-({[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-9040 |
| Compound Name: | 3-({[4-(4-methoxyphenyl)-5-(3-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: | Cc1cccc(c1)c1nnc(n1c1ccc(cc1)OC)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3158 |
| logD: | 5.3158 |
| logSw: | -5.4609 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.313 |
| InChI Key: | LJEJDLZOTRXXDE-UHFFFAOYSA-N |