2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3,4-dimethoxyphenyl)acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E545-0612 |
| Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 529.51 |
| Molecular Formula: | C28 H23 N3 O8 |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3113 |
| logD: | 4.3113 |
| logSw: | -4.4228 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.097 |
| InChI Key: | HQLUZMLWFGWAHE-UHFFFAOYSA-N |