methyl 6-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
methyl 6-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C696-0952 |
| Compound Name: | methyl 6-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C25 H20 N4 O6 |
| Smiles: | COC(c1cc2c(cc1NC(CN1C(c3ccccc3C(Cc3ccncc3)=N1)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1536 |
| logD: | 2.0369 |
| logSw: | -3.0118 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.268 |
| InChI Key: | QVLJOHDCBNWCCQ-UHFFFAOYSA-N |