ethyl 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
ethyl 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
ethyl 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: | E545-0624 |
| Compound Name: | ethyl 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: | 541.52 |
| Molecular Formula: | C29 H23 N3 O8 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0446 |
| logD: | 5.0322 |
| logSw: | -4.7391 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.892 |
| InChI Key: | XIIOMBGXORSYBK-UHFFFAOYSA-N |