6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y040-7590 |
| Compound Name: | 6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 488.96 |
| Molecular Formula: | C26 H29 Cl O7 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OC(c1cc(c(c(c1)OC)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4909 |
| logD: | 6.4909 |
| logSw: | -6.2118 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.602 |
| InChI Key: | DOYJVQDJNYTTHW-UHFFFAOYSA-N |