N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
Formula:C21H17N4O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide |
| MolecularFormula | C21H17N4O2Br |
| Smiles | O=C(C(C1)=NNC1(c1ccccc1)c1ccccc1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C21H17BrN4O2/c22-19-12-11-17(28-19)14-23-25-20(27)18-13-21(26-24-18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,26H,13H2,(H,25,27) |
| InChIK | JMGHGHUXYUUFBA-UHFFFAOYSA-N |
| TotalMolweight | 437.296 |
| Molweight | 437.296 |
| MonoisotopicMass | 436.053487 |
| CLogP | 3.9929 |
| CLogS | -5.58 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.17 |
| Relative PSA | 0.2435 |
| PolarSurfaceArea | 78.99 |
| Druglikeness | 4.6108 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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