N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-1068 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C23 H18 N4 O4 |
| Smiles: | C(C1c2ccccc2C(N(CC(Nc2ccc3c(c2)OCO3)=O)N=1)=O)c1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3433 |
| logD: | 2.3309 |
| logSw: | -3.0161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.882 |
| InChI Key: | FRHLMBQIFKBSGF-UHFFFAOYSA-N |