N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide
Formula:C22H15N5O5BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H15N5O5BrCl |
| Smiles | [O-][N+](c(cc(/C=N\NC(C(Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C22H15BrClN5O5/c23-14-6-8-15(9-7-14)26-20(30)16-3-1-2-4-18(16)27-21(31)22(32)28-25-12-13-5-10-17(24)19(11-13)29(33)34/h1-12H,(H,26,30)(H,27,31)(H,28,32) |
| InChIK | PFGLAHKCDVDVBF-UHFFFAOYSA-N |
| TotalMolweight | 544.748 |
| Molweight | 544.748 |
| MonoisotopicMass | 542.994508 |
| CLogP | 3.701 |
| CLogS | -7.067 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 362.89 |
| Relative PSA | 0.31809 |
| PolarSurfaceArea | 145.48 |
| Druglikeness | -3.1709 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide
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