N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
Formula:C23H13N4F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C23H13N4F5 |
| Smiles | Fc(c(/C=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C23H13F5N4/c24-18-15(19(25)21(27)22(28)20(18)26)12-29-32-23-30-16(13-7-3-1-4-8-13)11-17(31-23)14-9-5-2-6-10-14/h1-12H,(H,30,31,32) |
| InChIK | YVEFTAVSQOUNHO-UHFFFAOYSA-N |
| TotalMolweight | 440.374 |
| Molweight | 440.374 |
| MonoisotopicMass | 440.106036 |
| CLogP | 7.6516 |
| CLogS | -7.542 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.03 |
| Relative PSA | 0.14121 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
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