6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl 3-methoxybenzoate
Chemical Structure Depiction of
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl 3-methoxybenzoate
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | Y040-0996 |
| Compound Name: | 6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl 3-methoxybenzoate |
| Molecular Weight: | 406.82 |
| Molecular Formula: | C23 H15 Cl O5 |
| Smiles: | COc1cccc(c1)C(=O)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8278 |
| logD: | 4.8278 |
| logSw: | -5.1239 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.382 |
| InChI Key: | ROAFBESFZJIPID-UHFFFAOYSA-N |