6-tert-butyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
6-tert-butyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Compound characteristics
| Compound ID: | E594-0378 |
| Compound Name: | 6-tert-butyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate |
| Molecular Weight: | 448.47 |
| Molecular Formula: | C25 H24 N2 O6 |
| Smiles: | CCC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc(cc2)OC)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.2141 |
| logD: | 6.2141 |
| logSw: | -5.4925 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.935 |
| InChI Key: | VOMLOLJEROHUPX-UHFFFAOYSA-N |