N-[(1R)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C24H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is a drug-like molecule.
| MolName | N-[(1R)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C24H19N5O3 |
| Smiles | O=C([C@@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H19N5O3/c30-22(17-11-5-2-6-12-17)26-21(24(32)28-25-15-16-9-3-1-4-10-16)20-18-13-7-8-14-19(18)23(31)29-27-20/h1-15,21H,(H,26,30)(H,28,32)(H,29,31)/t21-/m1/s1 |
| InChIK | INIJLTOZUZPYLC-OAQYLSRUSA-N |
| TotalMolweight | 425.447 |
| Molweight | 425.447 |
| MonoisotopicMass | 425.14879 |
| CLogP | 3.1331 |
| CLogS | -5.877 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 327.14 |
| Relative PSA | 0.29504 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 6.9626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - N-[(1R)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1R)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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