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-(2,3-dihydro-1,4-benzodioxin-6-yl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | E545-0638 |
| 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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 527.49 |
| Molecular Formula: | C28 H21 N3 O8 |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7489 |
| logD: | 3.7489 |
| logSw: | -4.236 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.66 |
| InChI Key: | AXAJSQRNMPDLJZ-UHFFFAOYSA-N |