3-(2H-1,3-benzodioxol-5-yl)-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0067 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 408.81 |
| Molecular Formula: | C17 H13 Cl N2 O6 S |
| Smiles: | COc1ccc(cc1S(Cc1nc(c2ccc3c(c2)OCO3)no1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7593 |
| logD: | 3.7593 |
| logSw: | -4.3109 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.092 |
| InChI Key: | CNVYMNIEIREFJD-UHFFFAOYSA-N |