methyl 4-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate
methyl 4-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate
Compound characteristics
| Compound ID: | 4182-0758 |
| Compound Name: | methyl 4-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate |
| Molecular Weight: | 474.55 |
| Molecular Formula: | C29 H30 O6 |
| Smiles: | CCCCCCc1cc2C(=CC(=O)Oc2cc1OCc1cc(C(=O)OC)oc1C)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9613 |
| logD: | 6.9613 |
| logSw: | -5.7211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.188 |
| InChI Key: | XKTLHKWOSCEQPX-UHFFFAOYSA-N |