N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C23H17N2O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H17N2O2Cl2F3 |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H17Cl2F3N2O2/c24-19-7-6-17(21(25)12-19)14-32-20-8-4-15(5-9-20)13-29-30-22(31)11-16-2-1-3-18(10-16)23(26,27)28/h1-10,12-13H,11,14H2,(H,30,31) |
| InChIK | KOUQIMDDXOCEPU-UHFFFAOYSA-N |
| TotalMolweight | 481.3 |
| Molweight | 481.3 |
| MonoisotopicMass | 480.061916 |
| CLogP | 6.6081 |
| CLogS | -7.277 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 344.57 |
| Relative PSA | 0.13353 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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