3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y041-3026 |
| Compound Name: | 3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C26 H30 O7 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6315 |
| logD: | 5.6315 |
| logSw: | -5.3767 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.516 |
| InChI Key: | ZEQWOAIKNZWLSO-UHFFFAOYSA-N |