N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
Formula:C16H13N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide |
| MolecularFormula | C16H13N3O2BrCl |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13BrClN3O2/c17-13-3-1-2-12(8-13)10-20-21-16(23)15(22)19-9-11-4-6-14(18)7-5-11/h1-8,10H,9H2,(H,19,22)(H,21,23) |
| InChIK | XZOIDCMVLDXJCA-UHFFFAOYSA-N |
| TotalMolweight | 394.655 |
| Molweight | 394.655 |
| MonoisotopicMass | 392.987965 |
| CLogP | 3.1845 |
| CLogS | -4.911 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.01 |
| Relative PSA | 0.2292 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.2759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(4-chlorophenyl)methyl]oxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
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