2-(2H-1,3-benzodioxol-5-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole
2-(2H-1,3-benzodioxol-5-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | D353-0795 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc4c(c3)OCO4)o2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 3.67 |
| logSw: | -3.7818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.18 |
| InChI Key: | QHJBKEQWTVONSF-UHFFFAOYSA-N |