6-N-benzyl-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
Formula:C23H20N7F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-N-benzyl-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 6-N-benzyl-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C23H20N7F |
| Smiles | Fc1cc(/C=N\Nc2nc(Nc3ccccc3)nc(NCc3ccccc3)n2)ccc1 |
| InChI | InChI=1S/C23H20FN7/c24-19-11-7-10-18(14-19)16-26-31-23-29-21(25-15-17-8-3-1-4-9-17)28-22(30-23)27-20-12-5-2-6-13-20/h1-14,16H,15H2,(H3,25,27,28,29,30,31) |
| InChIK | PEQCOFCOHCSWRE-UHFFFAOYSA-N |
| TotalMolweight | 413.459 |
| Molweight | 413.459 |
| MonoisotopicMass | 413.176421 |
| CLogP | 6.9588 |
| CLogS | -6.61 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 328.07 |
| Relative PSA | 0.24019 |
| PolarSurfaceArea | 87.12 |
| Druglikeness | 1.5959 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 6-N-benzyl-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 6-N-benzyl-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
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