3-(2H-1,3-benzodioxol-5-yl)-3'-[(2-methylphenyl)methyl]-5,5'-bi-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-3'-[(2-methylphenyl)methyl]-5,5'-bi-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-3'-[(2-methylphenyl)methyl]-5,5'-bi-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | S360-0228 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-3'-[(2-methylphenyl)methyl]-5,5'-bi-1,2,4-oxadiazole |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C19 H14 N4 O4 |
| Smiles: | Cc1ccccc1Cc1nc(c2nc(c3ccc4c(c3)OCO4)no2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.8764 |
| logD: | 4.8764 |
| logSw: | -4.732 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.427 |
| InChI Key: | HTMAYGJOEVTOBF-UHFFFAOYSA-N |