| MolName | N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C24H28N7OF |
| Smiles | Fc(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1 |
| InChI | InChI=1S/C24H28FN7O/c25-19-9-7-18(8-10-19)21-12-11-20(33-21)17-26-30-22-27-23(31-13-3-1-4-14-31)29-24(28-22)32-15-5-2-6-16-32/h7-12,17H,1-6,13-16H2,(H,27,28,29,30) |
| InChIK | SLBQNYJBJMDZNF-UHFFFAOYSA-N |
| TotalMolweight | 449.532 |
| Molweight | 449.532 |
| MonoisotopicMass | 449.233936 |
| CLogP | 6.9682 |
| CLogS | -7.093 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 352.52 |
| Relative PSA | 0.21868 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | 2.98 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine