N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
Formula:C22H17N4O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C22H17N4O4Br |
| Smiles | Oc1cccc(/C=N\NC(C(Nc(cccc2)c2C(Nc(cc2)ccc2Br)=O)=O)=O)c1 |
| InChI | InChI=1S/C22H17BrN4O4/c23-15-8-10-16(11-9-15)25-20(29)18-6-1-2-7-19(18)26-21(30)22(31)27-24-13-14-4-3-5-17(28)12-14/h1-13,28H,(H,25,29)(H,26,30)(H,27,31) |
| InChIK | BSVHEGXQUTZWQB-UHFFFAOYSA-N |
| TotalMolweight | 481.305 |
| Molweight | 481.305 |
| MonoisotopicMass | 480.043317 |
| CLogP | 3.6709 |
| CLogS | -5.575 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 330.15 |
| Relative PSA | 0.29717 |
| PolarSurfaceArea | 119.89 |
| Druglikeness | 1.9254 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
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