N-[(1S)-2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C32H23N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(1S)-2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is not a drug-like molecule.
| MolName | N-[(1S)-2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C32H23N5O3 |
| Smiles | O=C([C@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C32H23N5O3/c38-30(20-10-2-1-3-11-20)34-29(28-25-16-8-9-17-26(25)31(39)37-35-28)32(40)36-33-19-27-23-14-6-4-12-21(23)18-22-13-5-7-15-24(22)27/h1-19,29H,(H,34,38)(H,36,40)(H,37,39)/t29-/m0/s1 |
| InChIK | ZIQBQGBREZMXSA-LJAQVGFWSA-N |
| TotalMolweight | 525.567 |
| Molweight | 525.567 |
| MonoisotopicMass | 525.18009 |
| CLogP | 5.5219 |
| CLogS | -9.089 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 396.34 |
| Relative PSA | 0.24353 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 6.9626 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1S)-2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1S)-2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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