4-[4-(benzylamino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(benzylamino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
4-[4-(benzylamino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2756 |
| Compound Name: | 4-[4-(benzylamino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)NCc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7988 |
| logD: | 3.7988 |
| logSw: | -4.1103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.763 |
| InChI Key: | DSFHHJVYRLIVIX-UHFFFAOYSA-N |