N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C23H17N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C23H17N4O3F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C23H17F3N4O3/c24-23(25,26)18-12-6-4-8-15(18)14-27-30-22(33)21(32)29-19-13-7-5-11-17(19)20(31)28-16-9-2-1-3-10-16/h1-14H,(H,28,31)(H,29,32)(H,30,33) |
| InChIK | VNPIJZGYPPLIIW-UHFFFAOYSA-N |
| TotalMolweight | 454.407 |
| Molweight | 454.407 |
| MonoisotopicMass | 454.125275 |
| CLogP | 4.1397 |
| CLogS | -5.815 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 334.63 |
| Relative PSA | 0.25404 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | -3.4422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
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