3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8009-1112 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C22 H17 N3 O2 S |
| Smiles: | C1Oc2ccc(CSc3nnc(c4ccccc4)n3c3ccccc3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0342 |
| logD: | 5.0342 |
| logSw: | -5.0113 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.828 |
| InChI Key: | OLJGDOBIJSYBKN-UHFFFAOYSA-N |