N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C23H18N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H18N3O4F3 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(Cc3cccc(C(F)(F)F)c3)=O)cc2)cc1)=O |
| InChI | InChI=1S/C23H18F3N3O4/c24-23(25,26)19-3-1-2-18(12-19)13-22(30)28-27-14-16-6-10-21(11-7-16)33-15-17-4-8-20(9-5-17)29(31)32/h1-12,14H,13,15H2,(H,28,30) |
| InChIK | NFEKMEACKNRJAO-UHFFFAOYSA-N |
| TotalMolweight | 457.407 |
| Molweight | 457.407 |
| MonoisotopicMass | 457.124941 |
| CLogP | 4.4745 |
| CLogS | -6.265 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 337.4 |
| Relative PSA | 0.22653 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -8.2788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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