N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide
Formula:C20H18N4O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide |
| MolecularFormula | C20H18N4O3ClF3 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1N1CCOCC1)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C20H18ClF3N4O3/c21-17-6-3-14(11-16(17)20(22,23)24)26-18(29)19(30)27-25-12-13-1-4-15(5-2-13)28-7-9-31-10-8-28/h1-6,11-12H,7-10H2,(H,26,29)(H,27,30) |
| InChIK | CXMLOFOBHRBMRP-UHFFFAOYSA-N |
| TotalMolweight | 454.835 |
| Molweight | 454.835 |
| MonoisotopicMass | 454.101952 |
| CLogP | 3.2672 |
| CLogS | -5.142 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 322.92 |
| Relative PSA | 0.22934 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | -2.903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide | 2 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide
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