6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0356 |
| Compound Name: | 6-tert-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C23 H19 Cl N2 O5 |
| Smiles: | CC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc(cc2)[Cl])no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.2925 |
| logD: | 6.2925 |
| logSw: | -6.3192 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.088 |
| InChI Key: | QMRBGAZOPSCERR-UHFFFAOYSA-N |