N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C20H22N7F5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H22N7F5 |
| Smiles | Fc(c(/C=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C20H22F5N7/c21-13-12(14(22)16(24)17(25)15(13)23)11-26-30-18-27-19(31-7-3-1-4-8-31)29-20(28-18)32-9-5-2-6-10-32/h11H,1-10H2,(H,27,28,29,30) |
| InChIK | ROFOZHOVXXFZOG-UHFFFAOYSA-N |
| TotalMolweight | 455.434 |
| Molweight | 455.434 |
| MonoisotopicMass | 455.185683 |
| CLogP | 6.4325 |
| CLogS | -6.889 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.47 |
| Relative PSA | 0.19174 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 1.532 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
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