methyl 6-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
methyl 6-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C696-1253 |
| Compound Name: | methyl 6-(2-{1-oxo-4-[(pyridin-3-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(Cc3cccnc3)=N1)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2227 |
| logD: | 2.0977 |
| logSw: | -2.924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.357 |
| InChI Key: | JAZHTSKLPGSKOF-UHFFFAOYSA-N |