N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Formula:C23H24N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide |
| MolecularFormula | C23H24N4O4Cl2 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc(cc2)cc(Cl)c2Cl)=O)=O)cc1)NC1CCCCC1 |
| InChI | InChI=1S/C23H24Cl2N4O4/c24-19-11-8-17(12-20(19)25)28-22(31)23(32)29-26-13-15-6-9-18(10-7-15)33-14-21(30)27-16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,27,30)(H,28,31)(H,29,32) |
| InChIK | YBKOHPKDAOOGSE-UHFFFAOYSA-N |
| TotalMolweight | 491.374 |
| Molweight | 491.374 |
| MonoisotopicMass | 490.11746 |
| CLogP | 3.9253 |
| CLogS | -6.356 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 367.81 |
| Relative PSA | 0.25831 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -0.63632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide | 2 - N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
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