N-cyclopropyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
Formula:C21H19N4O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopropyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopropyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide |
| MolecularFormula | C21H19N4O4F3 |
| Smiles | O=C(COc1cc(/C=N\NC(C(NC2CC2)=O)=O)ccc1)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C21H19F3N4O4/c22-21(23,24)14-4-2-5-16(10-14)26-18(29)12-32-17-6-1-3-13(9-17)11-25-28-20(31)19(30)27-15-7-8-15/h1-6,9-11,15H,7-8,12H2,(H,26,29)(H,27,30)(H,28,31) |
| InChIK | SMRIFDGQXVNZCC-UHFFFAOYSA-N |
| TotalMolweight | 448.4 |
| Molweight | 448.4 |
| MonoisotopicMass | 448.13584 |
| CLogP | 2.5356 |
| CLogS | -4.852 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 325.15 |
| Relative PSA | 0.2922 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -2.7459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - N-cyclopropyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide | 2 - N-cyclopropyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
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