N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
Formula:C22H16N5O5Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H16N5O5Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc(cccc2)c2C(Nc(cc2)ccc2Br)=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C22H16BrN5O5/c23-15-7-9-16(10-8-15)25-20(29)18-3-1-2-4-19(18)26-21(30)22(31)27-24-13-14-5-11-17(12-6-14)28(32)33/h1-13H,(H,25,29)(H,26,30)(H,27,31) |
| InChIK | PCRRVJSJWULTGW-UHFFFAOYSA-N |
| TotalMolweight | 510.303 |
| Molweight | 510.303 |
| MonoisotopicMass | 509.033481 |
| CLogP | 3.095 |
| CLogS | -6.331 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 347.47 |
| Relative PSA | 0.3322 |
| PolarSurfaceArea | 145.48 |
| Druglikeness | -3.1958 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
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