3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0365 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C23 H20 N2 O6 S |
| Smiles: | Cc1cc(C)c(cc1C)S(Cc1ccc(c2nc(c3ccc4c(c3)OCO4)no2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9011 |
| logD: | 5.9011 |
| logSw: | -5.6366 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.366 |
| InChI Key: | MZALHBNKQMUTRX-UHFFFAOYSA-N |