N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-0845 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C24 H20 N4 O4 |
| Smiles: | C(C1c2ccccc2C(N(CC(NCc2ccc3c(c2)OCO3)=O)N=1)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9319 |
| logD: | 1.9279 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.114 |
| InChI Key: | AXQUUIGPWPXOSS-UHFFFAOYSA-N |