3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V001-1977 |
| Compound Name: | 3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(c(c2)OC)OC)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9456 |
| logD: | 4.9456 |
| logSw: | -4.7283 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.729 |
| InChI Key: | UTBGUSKEZDZPDM-UHFFFAOYSA-N |