3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-chlorobenzoate
Chemical Structure Depiction of
3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-chlorobenzoate
3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | Y040-3962 |
| Compound Name: | 3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-chlorobenzoate |
| Molecular Weight: | 400.81 |
| Molecular Formula: | C21 H17 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4975 |
| logD: | 4.4975 |
| logSw: | -4.9737 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.203 |
| InChI Key: | ZLJZZCYBIONOJD-UHFFFAOYSA-N |