| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C26H29N6OF |
| Smiles | Fc1ccc(COc2c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)c3)cccc2)cc1 |
| InChI | InChI=1S/C26H29FN6O/c27-22-11-9-20(10-12-22)19-34-23-8-2-1-7-21(23)18-28-31-24-17-25(32-13-3-4-14-32)30-26(29-24)33-15-5-6-16-33/h1-2,7-12,17-18H,3-6,13-16,19H2,(H,29,30,31) |
| InChIK | IMWWTQDDRHSXLY-UHFFFAOYSA-N |
| TotalMolweight | 460.555 |
| Molweight | 460.555 |
| MonoisotopicMass | 460.238687 |
| CLogP | 6.7809 |
| CLogS | -6.565 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 360.31 |
| Relative PSA | 0.1721 |
| PolarSurfaceArea | 65.88 |
| Druglikeness | 2.3243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine | 2 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine