2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-9728 |
| Compound Name: | 2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-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: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.0376 |
| logD: | 5.0376 |
| logSw: | -4.7475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.856 |
| InChI Key: | IIJBHMASTVHWHR-UHFFFAOYSA-N |