4-N-(4-fluorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
Formula:C21H21N7F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-N-(4-fluorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 4-N-(4-fluorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C21H21N7F2 |
| Smiles | Fc1ccc(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCCCC3)n2)cc1 |
| InChI | InChI=1S/C21H21F2N7/c22-16-6-4-15(5-7-16)14-24-29-20-26-19(25-18-10-8-17(23)9-11-18)27-21(28-20)30-12-2-1-3-13-30/h4-11,14H,1-3,12-13H2,(H2,25,26,27,28,29) |
| InChIK | ZHBQZHACFWEGGA-UHFFFAOYSA-N |
| TotalMolweight | 409.443 |
| Molweight | 409.443 |
| MonoisotopicMass | 409.182649 |
| CLogP | 6.8275 |
| CLogS | -6.533 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 315.04 |
| Relative PSA | 0.22502 |
| PolarSurfaceArea | 78.33 |
| Druglikeness | 1.6278 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4-N-(4-fluorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-fluorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
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