4-[4-(4-methoxyanilino)-3-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-methoxyanilino)-3-nitrophenyl]phthalazin-1(2H)-one
4-[4-(4-methoxyanilino)-3-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2638 |
| Compound Name: | 4-[4-(4-methoxyanilino)-3-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C21 H16 N4 O4 |
| Smiles: | COc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5558 |
| logD: | 4.5556 |
| logSw: | -4.4344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.197 |
| InChI Key: | RPDFTFDPQFGTDS-UHFFFAOYSA-N |