N-(4-methylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
Formula:C19H21N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-methylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-methylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C19H21N3O5 |
| Smiles | Cc(cc1)ccc1NC(C(N/N=C\c(cc1OC)cc(OC)c1OC)=O)=O |
| InChI | InChI=1S/C19H21N3O5/c1-12-5-7-14(8-6-12)21-18(23)19(24)22-20-11-13-9-15(25-2)17(27-4)16(10-13)26-3/h5-11H,1-4H3,(H,21,23)(H,22,24) |
| InChIK | LCUDXISMLCZMKW-UHFFFAOYSA-N |
| TotalMolweight | 371.392 |
| Molweight | 371.392 |
| MonoisotopicMass | 371.148122 |
| CLogP | 2.2778 |
| CLogS | -3.923 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 295.24 |
| Relative PSA | 0.30656 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 3.5922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-methylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide | 2 - N-(4-methylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
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