(4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide
Formula:C22H25N5O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide is a drug-like molecule.
| MolName | (4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide |
| MolecularFormula | C22H25N5O4 |
| Smiles | NNC(C(N/N=C(\CCC(NCCc1ccccc1)=O)/CC(c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C22H25N5O4/c23-25-21(30)22(31)27-26-18(15-19(28)17-9-5-2-6-10-17)11-12-20(29)24-14-13-16-7-3-1-4-8-16/h1-10H,11-15,23H2,(H,24,29)(H,25,30)(H,27,31) |
| InChIK | MRAMTHOFIWHURT-UHFFFAOYSA-N |
| TotalMolweight | 423.472 |
| Molweight | 423.472 |
| MonoisotopicMass | 423.190655 |
| CLogP | 0.5477 |
| CLogS | -4.373 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 338.69 |
| Relative PSA | 0.33458 |
| PolarSurfaceArea | 142.75 |
| Druglikeness | -3.1618 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine; acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide | 2 - (4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-oxo-6-phenyl-N-(2-phenylethyl)hexanamide
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