N-(furan-2-ylmethyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
Formula:C20H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(furan-2-ylmethyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C20H22N4O5 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(NCc2ccco2)=O)=O)cc1)N1CCCC1 |
| InChI | InChI=1S/C20H22N4O5/c25-18(24-9-1-2-10-24)14-29-16-7-5-15(6-8-16)12-22-23-20(27)19(26)21-13-17-4-3-11-28-17/h3-8,11-12H,1-2,9-10,13-14H2,(H,21,26)(H,23,27) |
| InChIK | GYRMAMAROLECFS-UHFFFAOYSA-N |
| TotalMolweight | 398.418 |
| Molweight | 398.418 |
| MonoisotopicMass | 398.159021 |
| CLogP | 1.1132 |
| CLogS | -3.132 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 313 |
| Relative PSA | 0.32335 |
| PolarSurfaceArea | 113.24 |
| Druglikeness | 5.7507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-(furan-2-ylmethyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide | 2 - N-(furan-2-ylmethyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
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