N-[(E)-3-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C24H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-3-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H17N4O2ClS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C24H17ClN4O2S/c25-22-18(13-17-9-4-5-11-20(17)27-22)15-26-29-24(31)21(14-19-10-6-12-32-19)28-23(30)16-7-2-1-3-8-16/h1-15H,(H,28,30)(H,29,31) |
| InChIK | RTZRDKCTYPFQLP-UHFFFAOYSA-N |
| TotalMolweight | 460.944 |
| Molweight | 460.944 |
| MonoisotopicMass | 460.076073 |
| CLogP | 5.7043 |
| CLogS | -6.681 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.39 |
| Relative PSA | 0.2659 |
| PolarSurfaceArea | 111.69 |
| Druglikeness | 7.6114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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