butan-2-yl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
butan-2-yl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
butan-2-yl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5976-1673 |
| Compound Name: | butan-2-yl 2-{[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C22 H21 Cl O5 |
| Smiles: | CCC(C)OC(C(C)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9102 |
| logD: | 4.9102 |
| logSw: | -4.9578 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.965 |
| InChI Key: | YWZCCWZVIIJDLL-UHFFFAOYSA-N |