N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H11N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H11N3O2BrF3 |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H11BrF3N3O2/c17-12-5-1-3-10(7-12)9-21-23-15(25)14(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-9H,(H,22,24)(H,23,25) |
| InChIK | ZQFSZCNKPLIYCP-UHFFFAOYSA-N |
| TotalMolweight | 414.18 |
| Molweight | 414.18 |
| MonoisotopicMass | 412.998672 |
| CLogP | 3.7174 |
| CLogS | -5.137 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.29 |
| Relative PSA | 0.22895 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.2322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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