2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl}-N-(4-chlorophenyl)acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | F521-0253 |
| Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 464.86 |
| Molecular Formula: | C23 H17 Cl N4 O5 |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)N1C(N(Cc2ccc3c(c2)OCO3)C(c2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4676 |
| logD: | 3.4675 |
| logSw: | -3.7798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.441 |
| InChI Key: | YDCXRBYDDZTJFB-UHFFFAOYSA-N |