3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-4872 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.1216 |
| logD: | 5.1216 |
| logSw: | -5.1331 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.372 |
| InChI Key: | WMPONWKJAONPFU-UHFFFAOYSA-N |