3-(2H-1,3-benzodioxol-5-yl)-5-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0054 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C17 H14 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(c2ccc3c(c2)OCO3)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6447 |
| logD: | 3.6447 |
| logSw: | -3.861 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.462 |
| InChI Key: | VRWGVVODCVXRHV-UHFFFAOYSA-N |