N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-bromophenyl)oxamide
Formula:C17H15N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-bromophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-bromophenyl)oxamide |
| MolecularFormula | C17H15N4O4Br |
| Smiles | NC(COc1ccc(/C=N\NC(C(Nc2cccc(Br)c2)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H15BrN4O4/c18-12-2-1-3-13(8-12)21-16(24)17(25)22-20-9-11-4-6-14(7-5-11)26-10-15(19)23/h1-9H,10H2,(H2,19,23)(H,21,24)(H,22,25) |
| InChIK | CBBYZRQAYWWWCM-UHFFFAOYSA-N |
| TotalMolweight | 419.234 |
| Molweight | 419.234 |
| MonoisotopicMass | 418.027667 |
| CLogP | 1.5313 |
| CLogS | -4.228 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 284.86 |
| Relative PSA | 0.34691 |
| PolarSurfaceArea | 122.88 |
| Druglikeness | 2.0718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-bromophenyl)oxamide | 2 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-bromophenyl)oxamide
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