methyl [7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
methyl [7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-8212 |
| Compound Name: | methyl [7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 439.42 |
| Molecular Formula: | C23 H21 N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3805 |
| logD: | 2.3805 |
| logSw: | -2.9675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.553 |
| InChI Key: | FUSWFACGUOQHNM-UHFFFAOYSA-N |