N-[(E)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C20H16N4O2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C20H16N4O2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C20H16N4O2S/c25-19(15-7-2-1-3-8-15)23-18(13-17-10-6-12-27-17)20(26)24-22-14-16-9-4-5-11-21-16/h1-14H,(H,23,25)(H,24,26) |
| InChIK | UQIIYYKZDSTHQX-UHFFFAOYSA-N |
| TotalMolweight | 376.439 |
| Molweight | 376.439 |
| MonoisotopicMass | 376.099396 |
| CLogP | 3.738 |
| CLogS | -4.705 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.37 |
| Relative PSA | 0.31093 |
| PolarSurfaceArea | 111.69 |
| Druglikeness | 7.5837 |
| Mutagenic | low |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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