N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
Formula:C17H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[(4-chlorophenyl)methyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[(4-chlorophenyl)methyl]oxamide |
| MolecularFormula | C17H14N3O4Cl |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClN3O4/c18-13-4-1-11(2-5-13)8-19-16(22)17(23)21-20-9-12-3-6-14-15(7-12)25-10-24-14/h1-7,9H,8,10H2,(H,19,22)(H,21,23) |
| InChIK | ZZDGSCKFXOHVPA-UHFFFAOYSA-N |
| TotalMolweight | 359.768 |
| Molweight | 359.768 |
| MonoisotopicMass | 359.067284 |
| CLogP | 2.5707 |
| CLogS | -4.788 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.64 |
| Relative PSA | 0.30308 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[(4-chlorophenyl)methyl]oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
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