2H-1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate
Chemical Structure Depiction of
2H-1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate
2H-1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | J057-1349 |
| Compound Name: | 2H-1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C22 H16 N2 O7 S |
| Smiles: | COc1ccc(cc1S(=O)(=O)Oc1ccc2c(c1)OCO2)c1nnc(c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8234 |
| logD: | 3.8234 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.99 |
| InChI Key: | KMTZMZYFNZFWJN-UHFFFAOYSA-N |