propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
Compound ID: | 4593-1537 |
Compound Name: | propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate |
Molecular Weight: | 416.86 |
Molecular Formula: | C22 H21 Cl O6 |
Smiles: | CCCOC(C(CC)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2048 |
logD: | 5.2048 |
logSw: | -5.5753 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 55.376 |
InChI Key: | QZXSWPWHWMGATR-KRWDZBQOSA-N |