N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
Formula:C22H15N4O3BrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H15N4O3BrCl2 |
| Smiles | O=C(C(N/N=C\c(cccc1Cl)c1Cl)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H15BrCl2N4O3/c23-14-8-10-15(11-9-14)27-20(30)16-5-1-2-7-18(16)28-21(31)22(32)29-26-12-13-4-3-6-17(24)19(13)25/h1-12H,(H,27,30)(H,28,31)(H,29,32) |
| InChIK | VTTOWXAJKOBZIK-UHFFFAOYSA-N |
| TotalMolweight | 534.196 |
| Molweight | 534.196 |
| MonoisotopicMass | 531.970456 |
| CLogP | 5.2286 |
| CLogS | -7.343 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 354.64 |
| Relative PSA | 0.23971 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 1.97 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
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