3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0061 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 423.24 |
| Molecular Formula: | C16 H11 Br N2 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(CS(c2ccc(cc2)[Br])(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0552 |
| logD: | 4.0552 |
| logSw: | -4.3485 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.462 |
| InChI Key: | VBQSGQCDBHGOGH-UHFFFAOYSA-N |