4,6-dimorpholin-4-yl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3,5-triazin-2-amine
Formula:C18H18N7O2F5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C18H18N7O2F5 |
| Smiles | Fc(c(/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C18H18F5N7O2/c19-11-10(12(20)14(22)15(23)13(11)21)9-24-28-16-25-17(29-1-5-31-6-2-29)27-18(26-16)30-3-7-32-8-4-30/h9H,1-8H2,(H,25,26,27,28) |
| InChIK | OILKNFDVOJOCDH-UHFFFAOYSA-N |
| TotalMolweight | 459.378 |
| Molweight | 459.378 |
| MonoisotopicMass | 459.144213 |
| CLogP | 4.1045 |
| CLogS | -5.111 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 320.95 |
| Relative PSA | 0.25854 |
| PolarSurfaceArea | 88 |
| Druglikeness | 1.9585 |
| 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 | 14 |
| Electronegative Atoms | 14 |
| 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 - 4,6-dimorpholin-4-yl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3,5-triazin-2-amine | 2 - 4,6-dimorpholin-4-yl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3,5-triazin-2-amine
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