N-[(E)-3-[(2Z)-2-[(5-bromofuran-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C19H14N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-[(5-bromofuran-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-[(2Z)-2-[(5-bromofuran-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H14N3O3BrS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1coc(Br)c1 |
| InChI | InChI=1S/C19H14BrN3O3S/c20-17-9-13(12-26-17)11-21-23-19(25)16(10-15-7-4-8-27-15)22-18(24)14-5-2-1-3-6-14/h1-12H,(H,22,24)(H,23,25) |
| InChIK | RHFBNVPCVOTKPW-UHFFFAOYSA-N |
| TotalMolweight | 444.308 |
| Molweight | 444.308 |
| MonoisotopicMass | 442.993923 |
| CLogP | 4.6422 |
| CLogS | -5.731 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.93 |
| Relative PSA | 0.31148 |
| PolarSurfaceArea | 111.94 |
| Druglikeness | 4.0796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-[(5-bromofuran-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(5-bromofuran-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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