N-[(E)-3-[(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C19H14N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-[(5-chlorothiophen-2-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-[(5-chlorothiophen-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H14N3O2ClS2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C19H14ClN3O2S2/c20-17-9-8-15(27-17)12-21-23-19(25)16(11-14-7-4-10-26-14)22-18(24)13-5-2-1-3-6-13/h1-12H,(H,22,24)(H,23,25) |
| InChIK | TWPUHLABLIIFEH-UHFFFAOYSA-N |
| TotalMolweight | 415.924 |
| Molweight | 415.924 |
| MonoisotopicMass | 415.021594 |
| CLogP | 5.3622 |
| CLogS | -6.239 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 307.97 |
| Relative PSA | 0.3287 |
| PolarSurfaceArea | 127.04 |
| Druglikeness | 7.6572 |
| 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-chlorothiophen-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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