4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y040-7817 |
| Compound Name: | 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C24 H26 O7 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5021 |
| logD: | 4.5021 |
| logSw: | -4.5687 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.772 |
| InChI Key: | VXJSXNWAVHKKLK-UHFFFAOYSA-N |