2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Chemical Structure Depiction of
2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Compound characteristics
| Compound ID: | V015-0557 |
| Compound Name: | 2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1619 |
| logD: | 4.1598 |
| logSw: | -4.3429 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.343 |
| InChI Key: | IDYXWVUVONCZHP-UHFFFAOYSA-N |