4-(4-anilino-3-nitrophenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(4-anilino-3-nitrophenyl)phthalazin-1(2H)-one
4-(4-anilino-3-nitrophenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2636 |
| Compound Name: | 4-(4-anilino-3-nitrophenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C20 H14 N4 O3 |
| Smiles: | c1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3817 |
| logD: | 4.3815 |
| logSw: | -4.5547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.653 |
| InChI Key: | DIPPPUDWSNVLHN-UHFFFAOYSA-N |