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-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E545-0635 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C28 H23 N3 O6 |
| Smiles: | Cc1ccc(CNC(CN2C(N(Cc3ccc4c(c3)OCO4)C(c3c2c2ccccc2o3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7775 |
| logD: | 4.7775 |
| logSw: | -4.7836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.159 |
| InChI Key: | CLKTWHPMOZTJOT-UHFFFAOYSA-N |