N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-naphthalen-1-yloxamide
Formula:C27H22N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C27H22N4O4 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc2cccc3ccccc23)=O)=O)cc1)Nc1ccccc1 |
| InChI | InChI=1S/C27H22N4O4/c32-25(29-21-9-2-1-3-10-21)18-35-22-15-13-19(14-16-22)17-28-31-27(34)26(33)30-24-12-6-8-20-7-4-5-11-23(20)24/h1-17H,18H2,(H,29,32)(H,30,33)(H,31,34) |
| InChIK | QONJDAFZGJYCRQ-UHFFFAOYSA-N |
| TotalMolweight | 466.496 |
| Molweight | 466.496 |
| MonoisotopicMass | 466.164106 |
| CLogP | 4.0607 |
| CLogS | -6.423 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 363.53 |
| Relative PSA | 0.26135 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 3.5437 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-naphthalen-1-yloxamide | 2 - N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-naphthalen-1-yloxamide
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