N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Formula:C20H19N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
| MolecularFormula | C20H19N4O4Br |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C20H19BrN4O4/c21-15-5-3-4-14(12-15)13-22-24-19(27)18(26)23-17-7-2-1-6-16(17)20(28)25-8-10-29-11-9-25/h1-7,12-13H,8-11H2,(H,23,26)(H,24,27) |
| InChIK | LIXUXYYOFRGSSA-UHFFFAOYSA-N |
| TotalMolweight | 459.299 |
| Molweight | 459.299 |
| MonoisotopicMass | 458.058967 |
| CLogP | 2.5434 |
| CLogS | -4.069 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.42 |
| Relative PSA | 0.27702 |
| PolarSurfaceArea | 100.1 |
| Druglikeness | 3.2159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
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