methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C696-1039 |
| Compound Name: | methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C24 H20 N4 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(c2ccccc2C(Cc2cccnc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2348 |
| logD: | 2.216 |
| logSw: | -2.6495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.242 |
| InChI Key: | FVZMPFMOWXRQJZ-UHFFFAOYSA-N |