N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C17H10N2O2BrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C17H10N2O2BrFS2 |
| Smiles | O=C(c1ccccc1)NN(C(/C(/S1)=C\c(cc2)cc(Br)c2F)=O)C1=S |
| InChI | InChI=1S/C17H10BrFN2O2S2/c18-12-8-10(6-7-13(12)19)9-14-16(23)21(17(24)25-14)20-15(22)11-4-2-1-3-5-11/h1-9H,(H,20,22) |
| InChIK | CRCBRHDROGDGIK-UHFFFAOYSA-N |
| TotalMolweight | 437.312 |
| Molweight | 437.312 |
| MonoisotopicMass | 435.935107 |
| CLogP | 2.2972 |
| CLogS | -5.832 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.67 |
| Relative PSA | 0.31294 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 0.82579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - N-[(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
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