methyl 5-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylate
methyl 5-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 4986-1218 |
| Compound Name: | methyl 5-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C25 H22 O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3205 |
| logD: | 5.3205 |
| logSw: | -5.5172 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.902 |
| InChI Key: | SZQDWAPSJNTLLR-UHFFFAOYSA-N |