methyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | E545-0626 |
| Compound Name: | methyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 527.49 |
| Molecular Formula: | C28 H21 N3 O8 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.501 |
| logD: | 4.4886 |
| logSw: | -4.3327 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.313 |
| InChI Key: | XSXCVFUOOLMELK-UHFFFAOYSA-N |