N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | E545-0713 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 499.48 |
| Molecular Formula: | C27 H21 N3 O7 |
| Smiles: | COc1ccc(CN2C(c3c(c4ccccc4o3)N(CC(Nc3ccc4c(c3)OCO4)=O)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7207 |
| logD: | 4.7206 |
| logSw: | -4.8003 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.38 |
| InChI Key: | IOCAZDSSXVFXTD-UHFFFAOYSA-N |