N-(4-bromophenyl)-N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide
Formula:C24H18N5O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide |
| MolecularFormula | C24H18N5O2Br |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C24H18BrN5O2/c25-19-11-13-20(14-12-19)27-23(31)24(32)28-26-15-18-16-30(21-9-5-2-6-10-21)29-22(18)17-7-3-1-4-8-17/h1-16H,(H,27,31)(H,28,32) |
| InChIK | OIBCAUBXNFXQRQ-UHFFFAOYSA-N |
| TotalMolweight | 488.344 |
| Molweight | 488.344 |
| MonoisotopicMass | 487.064386 |
| CLogP | 3.7881 |
| CLogS | -5.872 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 342.31 |
| Relative PSA | 0.22889 |
| PolarSurfaceArea | 88.38 |
| Druglikeness | 3.3033 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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