N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
Formula:C17H12N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C17H12N6O4S |
| Smiles | [O-][N+](c1c(/C=N\NC(C(Nc2nnc(-c3ccccc3)s2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C17H12N6O4S/c24-14(19-17-22-21-16(28-17)11-6-2-1-3-7-11)15(25)20-18-10-12-8-4-5-9-13(12)23(26)27/h1-10H,(H,20,25)(H,19,22,24) |
| InChIK | SXZZXIVZUHTHDI-UHFFFAOYSA-N |
| TotalMolweight | 396.386 |
| Molweight | 396.386 |
| MonoisotopicMass | 396.064074 |
| CLogP | 1.8903 |
| CLogS | -4.489 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 293.09 |
| Relative PSA | 0.45457 |
| PolarSurfaceArea | 170.4 |
| Druglikeness | 0.026966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
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