3-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Chemical Structure Depiction of
3-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
3-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Compound characteristics
| Compound ID: | 8020-2827 |
| Compound Name: | 3-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccc2c(c1)OCO2)SCc1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5076 |
| logD: | 3.395 |
| logSw: | -3.5373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.324 |
| InChI Key: | FORWGCRVQKWCJA-UHFFFAOYSA-N |