| MolName | 3-(2-oxopyrrolidin-1-yl)-N-[(E)-[(2E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]hydrazinylidene]ethylidene]amino]benzamide |
| MolecularFormula | C24H24N6O4 |
| Smiles | O=C(c1cc(N(CCC2)C2=O)ccc1)N/N=C/C=N/NC(c1cccc(N(CCC2)C2=O)c1)=O |
| InChI | InChI=1S/C24H24N6O4/c31-21-9-3-13-29(21)19-7-1-5-17(15-19)23(33)27-25-11-12-26-28-24(34)18-6-2-8-20(16-18)30-14-4-10-22(30)32/h1-2,5-8,11-12,15-16H,3-4,9-10,13-14H2,(H,27,33)(H,28,34) |
| InChIK | NZAKOKDYSZZRNJ-UHFFFAOYSA-N |
| TotalMolweight | 460.493 |
| Molweight | 460.493 |
| MonoisotopicMass | 460.185904 |
| CLogP | 1.7662 |
| CLogS | -5.37 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 352.62 |
| Relative PSA | 0.29834 |
| PolarSurfaceArea | 123.54 |
| Druglikeness | 5.9582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon |
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1 - 3-(2-oxopyrrolidin-1-yl)-N-[(E)-[(2E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]hydrazinylidene]ethylidene]amino]benzamide | 2 - 3-(2-oxopyrrolidin-1-yl)-N-[(E)-[(2E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]hydrazinylidene]ethylidene]amino]benzamide