N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide
Formula:C25H17N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide |
| MolecularFormula | C25H17N4O2Br |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C25H17BrN4O2/c26-21-12-6-5-11-20(21)25(31)28-27-15-18-16-30(19-9-2-1-3-10-19)29-24(18)23-14-17-8-4-7-13-22(17)32-23/h1-16H,(H,28,31) |
| InChIK | CKHNDFCNJXRMIJ-UHFFFAOYSA-N |
| TotalMolweight | 485.34 |
| Molweight | 485.34 |
| MonoisotopicMass | 484.053487 |
| CLogP | 5.3884 |
| CLogS | -6.919 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 337.39 |
| Relative PSA | 0.20143 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 4.045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide | 2 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-bromobenzamide
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