N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-(4-nitrophenoxy)acetamide
N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | 6216-0096 |
| Compound Name: | N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C25 H22 N4 O6 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(CNC(COc3ccc(cc3)[N+]([O-])=O)=O)c2)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2461 |
| logD: | 3.2457 |
| logSw: | -3.6379 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.857 |
| InChI Key: | PLAKVDMNUYPQTP-UHFFFAOYSA-N |