N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | E545-0639 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 513.46 |
| Molecular Formula: | C27 H19 N3 O8 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6095 |
| logD: | 4.6095 |
| logSw: | -4.5102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.952 |
| InChI Key: | CZZQRZDRHBVNAT-UHFFFAOYSA-N |