N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C21H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H17N3O2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1cccs1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N3O2S/c25-20(17-10-5-2-6-11-17)23-19(14-18-12-7-13-27-18)21(26)24-22-15-16-8-3-1-4-9-16/h1-15H,(H,23,25)(H,24,26) |
| InChIK | CHAAPNYQCDWWKO-UHFFFAOYSA-N |
| TotalMolweight | 375.451 |
| Molweight | 375.451 |
| MonoisotopicMass | 375.104147 |
| CLogP | 4.6849 |
| CLogS | -5.476 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 296.61 |
| Relative PSA | 0.27265 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 7.5837 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| 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-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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