N-benzyl-N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
Formula:C24H20N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide |
| MolecularFormula | C24H20N4O4Cl2 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(NCc2ccccc2)=O)=O)cc1)Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C24H20Cl2N4O4/c25-18-10-19(26)12-20(11-18)29-22(31)15-34-21-8-6-17(7-9-21)14-28-30-24(33)23(32)27-13-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,27,32)(H,29,31)(H,30,33) |
| InChIK | FMCSNRXJHZRRDM-UHFFFAOYSA-N |
| TotalMolweight | 499.353 |
| Molweight | 499.353 |
| MonoisotopicMass | 498.08616 |
| CLogP | 3.7877 |
| CLogS | -6.105 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 373.53 |
| Relative PSA | 0.25436 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 3.9144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - N-benzyl-N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide | 2 - N-benzyl-N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
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