N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Formula:C26H21N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C26H21N5O3 |
| Smiles | O=C([C@@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C26H21N5O3/c32-24(19-13-5-2-6-14-19)28-23(22-20-15-7-8-16-21(20)25(33)31-29-22)26(34)30-27-17-9-12-18-10-3-1-4-11-18/h1-17,23H,(H,28,32)(H,30,34)(H,31,33)/t23-/m1/s1 |
| InChIK | LOLLBPPCWUFRJZ-HSZRJFAPSA-N |
| TotalMolweight | 451.485 |
| Molweight | 451.485 |
| MonoisotopicMass | 451.16444 |
| CLogP | 3.1514 |
| CLogS | -6.169 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 353.64 |
| Relative PSA | 0.27293 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 6.9819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide | 2 - N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
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