4-({[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-8870 |
| Compound Name: | 4-({[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccccc2OC)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3481 |
| logD: | 4.348 |
| logSw: | -4.467 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.943 |
| InChI Key: | BBRMEOCLDGFBQQ-UHFFFAOYSA-N |