methyl 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-7704 |
| Compound Name: | methyl 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C27 H24 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0952 |
| logD: | 6.0952 |
| logSw: | -5.7154 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.061 |
| InChI Key: | MSBBVWAROAQDFC-UHFFFAOYSA-N |