3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2,4-dichlorobenzoate
Chemical Structure Depiction of
3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2,4-dichlorobenzoate
3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2,4-dichlorobenzoate
Compound characteristics
| Compound ID: | Y040-3725 |
| Compound Name: | 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2,4-dichlorobenzoate |
| Molecular Weight: | 435.26 |
| Molecular Formula: | C21 H16 Cl2 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.142 |
| logD: | 5.142 |
| logSw: | -5.5518 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.888 |
| InChI Key: | QPJXFXVVLSOTSY-UHFFFAOYSA-N |