4-[4-(4-methoxyanilino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-methoxyanilino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
4-[4-(4-methoxyanilino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2754 |
| Compound Name: | 4-[4-(4-methoxyanilino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)Nc2ccc(cc2)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.555 |
| logD: | 4.555 |
| logSw: | -4.4432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.985 |
| InChI Key: | OZKYQYOBCQIJPJ-UHFFFAOYSA-N |