N-[(E)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C21H16N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H16N3O2FS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H16FN3O2S/c22-17-10-8-15(9-11-17)14-23-25-21(27)19(13-18-7-4-12-28-18)24-20(26)16-5-2-1-3-6-16/h1-14H,(H,24,26)(H,25,27) |
| InChIK | PUCBKEJWWPEBIT-UHFFFAOYSA-N |
| TotalMolweight | 393.441 |
| Molweight | 393.441 |
| MonoisotopicMass | 393.094725 |
| CLogP | 4.7857 |
| CLogS | -5.79 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.96 |
| Relative PSA | 0.26693 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 6.2437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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