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-chlorophenyl)methyl]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-chlorophenyl)methyl]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-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E545-0636 |
| 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-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 517.92 |
| Molecular Formula: | C27 H20 Cl N3 O6 |
| Smiles: | C(c1ccccc1[Cl])NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1361 |
| logD: | 5.1361 |
| logSw: | -5.7139 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.159 |
| InChI Key: | KLMQJDIZQBJHBS-UHFFFAOYSA-N |