4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y040-1195 |
| Compound Name: | 4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C22 H22 O7 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.509 |
| logD: | 3.509 |
| logSw: | -3.6712 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.772 |
| InChI Key: | MWATTYYEDUCOLI-UHFFFAOYSA-N |