| MolName | (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine |
| MolecularFormula | C20H15N3OF2 |
| Smiles | Nc1nc(/C(/COC2)=C\c(cc3)ccc3F)c2c(-c(cc2)ccc2F)n1 |
| InChI | InChI=1S/C20H15F2N3O/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(24-20(23)25-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H2,23,24,25) |
| InChIK | SWXABLOEPGQKLV-UHFFFAOYSA-N |
| TotalMolweight | 351.355 |
| Molweight | 351.355 |
| MonoisotopicMass | 351.118318 |
| CLogP | 2.9005 |
| CLogS | -5.112 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.25 |
| Relative PSA | 0.1814 |
| PolarSurfaceArea | 61.03 |
| Druglikeness | -3.8179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine | 2 - (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine