N-[(1R)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C24H18N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is not a drug-like molecule.
| MolName | N-[(1R)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C24H18N6O5 |
| Smiles | [O-][N+](c1cc(/C=N\NC([C@@H](C(c2c3cccc2)=NNC3=O)NC(c2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C24H18N6O5/c31-22(16-8-2-1-3-9-16)26-21(20-18-11-4-5-12-19(18)23(32)29-27-20)24(33)28-25-14-15-7-6-10-17(13-15)30(34)35/h1-14,21H,(H,26,31)(H,28,33)(H,29,32)/t21-/m1/s1 |
| InChIK | QBLLKLZDISGJML-OAQYLSRUSA-N |
| TotalMolweight | 470.444 |
| Molweight | 470.444 |
| MonoisotopicMass | 470.133869 |
| CLogP | 2.2115 |
| CLogS | -6.337 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 350.81 |
| Relative PSA | 0.36185 |
| PolarSurfaceArea | 157.84 |
| Druglikeness | 1.8512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1R)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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