3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | Y040-3478 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C25 H20 O6 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc2C=C(C(=O)Oc2c1)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4662 |
| logD: | 4.4662 |
| logSw: | -4.5458 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.527 |
| InChI Key: | PURHTPDGLCJIEA-UHFFFAOYSA-N |