| MolName | 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(3-fluorophenyl)acetamide |
| MolecularFormula | C24H18N3O4F |
| Smiles | O=C(COc1c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cccc1)Nc1cccc(F)c1 |
| InChI | InChI=1S/C24H18FN3O4/c25-17-8-6-9-18(14-17)26-22(29)15-32-21-12-5-4-7-16(21)13-20-23(30)27-28(24(20)31)19-10-2-1-3-11-19/h1-14H,15H2,(H,26,29)(H,27,30) |
| InChIK | GOBUOFHBDQYJCI-UHFFFAOYSA-N |
| TotalMolweight | 431.422 |
| Molweight | 431.422 |
| MonoisotopicMass | 431.128135 |
| CLogP | 2.1668 |
| CLogS | -4.496 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.57 |
| Relative PSA | 0.2358 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 3.1418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(3-fluorophenyl)acetamide | 2 - 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(3-fluorophenyl)acetamide