N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
Formula:C22H16N4O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide |
| MolecularFormula | C22H16N4O3BrCl |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H16BrClN4O3/c23-15-5-3-4-14(12-15)13-25-28-22(31)21(30)27-19-7-2-1-6-18(19)20(29)26-17-10-8-16(24)9-11-17/h1-13H,(H,26,29)(H,27,30)(H,28,31) |
| InChIK | SCAXWCXQPRIYGV-UHFFFAOYSA-N |
| TotalMolweight | 499.751 |
| Molweight | 499.751 |
| MonoisotopicMass | 498.009429 |
| CLogP | 4.6226 |
| CLogS | -6.607 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 339.22 |
| Relative PSA | 0.2506 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 1.97 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
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