N-[(1R)-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C24H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is a drug-like molecule.
| MolName | N-[(1R)-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C24H19N5O4 |
| Smiles | Oc1cccc(/C=N\NC([C@@H](C(c2c3cccc2)=NNC3=O)NC(c2ccccc2)=O)=O)c1 |
| InChI | InChI=1S/C24H19N5O4/c30-17-10-6-7-15(13-17)14-25-28-24(33)21(26-22(31)16-8-2-1-3-9-16)20-18-11-4-5-12-19(18)23(32)29-27-20/h1-14,21,30H,(H,26,31)(H,28,33)(H,29,32)/t21-/m1/s1 |
| InChIK | VCCMRIHYGAMKAX-OAQYLSRUSA-N |
| TotalMolweight | 441.446 |
| Molweight | 441.446 |
| MonoisotopicMass | 441.143705 |
| CLogP | 2.7874 |
| CLogS | -5.581 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 333.49 |
| Relative PSA | 0.32871 |
| PolarSurfaceArea | 132.25 |
| Druglikeness | 6.9383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1R)-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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