propyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
propyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
propyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 3793-3468 |
| Compound Name: | propyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C22 H21 Cl O5 |
| Smiles: | CCCOC(C(CC)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1842 |
| logD: | 5.1842 |
| logSw: | -5.527 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.58 |
| InChI Key: | DCHPARBQWIFMSK-IBGZPJMESA-N |