4-(3-nitro-4-{[(oxolan-2-yl)methyl]amino}phenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3-nitro-4-{[(oxolan-2-yl)methyl]amino}phenyl)phthalazin-1(2H)-one
4-(3-nitro-4-{[(oxolan-2-yl)methyl]amino}phenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0043 |
| Compound Name: | 4-(3-nitro-4-{[(oxolan-2-yl)methyl]amino}phenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | C1CC(CNc2ccc(cc2[N+]([O-])=O)C2c3ccccc3C(NN=2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5484 |
| logD: | 2.5482 |
| logSw: | -3.1456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.63 |
| InChI Key: | FXVJVCQKRIGNJG-CYBMUJFWSA-N |