3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
Chemical Structure Depiction of
3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
Compound characteristics
| Compound ID: | Y042-9428 |
| Compound Name: | 3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate |
| Molecular Weight: | 435.26 |
| Molecular Formula: | C21 H16 Cl2 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.357 |
| logD: | 5.357 |
| logSw: | -6.1836 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.203 |
| InChI Key: | FZIIGEWLXZHNJH-UHFFFAOYSA-N |