N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
Formula:C11H14N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide |
| MolecularFormula | C11H14N4O3S |
| Smiles | NC(C(N/N=C\c1ccc(N2CCOCC2)s1)=O)=O |
| InChI | InChI=1S/C11H14N4O3S/c12-10(16)11(17)14-13-7-8-1-2-9(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,12,16)(H,14,17) |
| InChIK | DCKYVMLVJQVTCN-UHFFFAOYSA-N |
| TotalMolweight | 282.323 |
| Molweight | 282.323 |
| MonoisotopicMass | 282.078661 |
| CLogP | -0.1911 |
| CLogS | -2.365 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 211.28 |
| Relative PSA | 0.46493 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | 4.0404 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide | 2 - N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
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