N-[(Z)-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H14N3O2Br2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H14N3O2Br2F3 |
| Smiles | N#Cc1c(COc(c(Br)cc(/C=N\NC(c2cc(C(F)(F)F)ccc2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C23H14Br2F3N3O2/c24-19-8-14(9-20(25)21(19)33-13-17-5-2-1-4-16(17)11-29)12-30-31-22(32)15-6-3-7-18(10-15)23(26,27)28/h1-10,12H,13H2,(H,31,32) |
| InChIK | IKPFRNWXTGKGEY-UHFFFAOYSA-N |
| TotalMolweight | 581.185 |
| Molweight | 581.185 |
| MonoisotopicMass | 578.940483 |
| CLogP | 6.684 |
| CLogS | -8.281 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 358.94 |
| Relative PSA | 0.16596 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -9.2395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| 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 | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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