| MolName | 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H14N4O3S2 |
| Smiles | O=C(COCC(N/N=C\c1cccs1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H14N4O3S2/c19-13(17-15-7-11-3-1-5-22-11)9-21-10-14(20)18-16-8-12-4-2-6-23-12/h1-8H,9-10H2,(H,17,19)(H,18,20) |
| InChIK | YIVDPJBVBNYJQU-UHFFFAOYSA-N |
| TotalMolweight | 350.422 |
| Molweight | 350.422 |
| MonoisotopicMass | 350.050731 |
| CLogP | 2.1791 |
| CLogS | -4.059 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 270.36 |
| Relative PSA | 0.45399 |
| PolarSurfaceArea | 148.63 |
| Druglikeness | 4.2347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide