3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl propanoate
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl propanoate
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl propanoate
Compound characteristics
| Compound ID: | E594-0373 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl propanoate |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C25 H22 N2 O7 |
| Smiles: | CCC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc3c(c2)OCO3)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.1524 |
| logD: | 6.1524 |
| logSw: | -5.5434 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.507 |
| InChI Key: | DHPROXVZCZUTAZ-UHFFFAOYSA-N |