3-({[5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-7155 |
| Compound Name: | 3-({[5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9136 |
| logD: | 4.9135 |
| logSw: | -4.7731 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.4 |
| InChI Key: | OGIIYPZRWVULKY-UHFFFAOYSA-N |