N-[(1S)-2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C24H18N5O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1S)-2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is not a drug-like molecule.
| MolName | N-[(1S)-2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C24H18N5O3Br |
| Smiles | O=C([C@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C24H18BrN5O3/c25-19-13-7-4-10-16(19)14-26-29-24(33)21(27-22(31)15-8-2-1-3-9-15)20-17-11-5-6-12-18(17)23(32)30-28-20/h1-14,21H,(H,27,31)(H,29,33)(H,30,32)/t21-/m0/s1 |
| InChIK | AKFZKSHAGMRBOQ-NRFANRHFSA-N |
| TotalMolweight | 504.343 |
| Molweight | 504.343 |
| MonoisotopicMass | 503.059301 |
| CLogP | 3.8583 |
| CLogS | -6.711 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 345.77 |
| Relative PSA | 0.27915 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 5.1726 |
| 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 | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - N-[(1S)-2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1S)-2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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