| MolName | N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H28N7OF |
| Smiles | Fc1c(COc2c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cccc2)cccc1 |
| InChI | InChI=1S/C25H28FN7O/c26-21-11-3-1-10-20(21)18-34-22-12-4-2-9-19(22)17-27-31-23-28-24(32-13-5-6-14-32)30-25(29-23)33-15-7-8-16-33/h1-4,9-12,17H,5-8,13-16,18H2,(H,28,29,30,31) |
| InChIK | IGDJAXUAZCYLBC-UHFFFAOYSA-N |
| TotalMolweight | 461.543 |
| Molweight | 461.543 |
| MonoisotopicMass | 461.233936 |
| CLogP | 6.6934 |
| CLogS | -6.434 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.07 |
| Relative PSA | 0.20325 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 2.3243 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine