3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate
Compound characteristics
| Compound ID: | E594-0296 |
| Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl propanoate |
| Molecular Weight: | 396.79 |
| Molecular Formula: | C20 H13 Cl N2 O5 |
| Smiles: | CCC(=O)Oc1cccc2C=C(C(=O)Oc12)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.8311 |
| logD: | 4.8311 |
| logSw: | -5.0384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.391 |
| InChI Key: | KGXLMGKVMZMDSM-UHFFFAOYSA-N |