N-(4-bromophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Formula:C24H17N5O2BrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide |
| MolecularFormula | C24H17N5O2BrF |
| Smiles | O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C24H17BrFN5O2/c25-18-8-12-20(13-9-18)28-23(32)24(33)29-27-14-17-15-31(21-4-2-1-3-5-21)30-22(17)16-6-10-19(26)11-7-16/h1-15H,(H,28,32)(H,29,33) |
| InChIK | VZTSRDWBQAICBS-UHFFFAOYSA-N |
| TotalMolweight | 506.334 |
| Molweight | 506.334 |
| MonoisotopicMass | 505.054964 |
| CLogP | 3.8889 |
| CLogS | -6.186 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 348.66 |
| Relative PSA | 0.22472 |
| PolarSurfaceArea | 88.38 |
| Druglikeness | 1.9633 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-bromophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off