N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C24H18N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C24H18N3O2F3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(Cc3cccc(C(F)(F)F)c3)=O)cc2)cccc1 |
| InChI | InChI=1S/C24H18F3N3O2/c25-24(26,27)21-7-3-4-18(12-21)13-23(31)30-29-15-17-8-10-22(11-9-17)32-16-20-6-2-1-5-19(20)14-28/h1-12,15H,13,16H2,(H,30,31) |
| InChIK | IADMESMXSYFXDF-UHFFFAOYSA-N |
| TotalMolweight | 437.42 |
| Molweight | 437.42 |
| MonoisotopicMass | 437.135111 |
| CLogP | 5.2317 |
| CLogS | -6.578 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.44 |
| Relative PSA | 0.17759 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -7.4614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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