methyl [6-chloro-4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [6-chloro-4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
methyl [6-chloro-4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2298 |
| Compound Name: | methyl [6-chloro-4-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 400.81 |
| Molecular Formula: | C21 H17 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8676 |
| logD: | 3.8676 |
| logSw: | -4.3878 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | HZABUQILUOFFFP-UHFFFAOYSA-N |