N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide
Formula:C17H10N2O2BrClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide is a drug-like molecule.
| MolName | N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide |
| MolecularFormula | C17H10N2O2BrClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)NN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S |
| InChI | InChI=1S/C17H10BrClN2O2S2/c18-12-3-1-2-10(8-12)9-14-16(23)21(17(24)25-14)20-15(22)11-4-6-13(19)7-5-11/h1-9H,(H,20,22) |
| InChIK | PPXJEWLVKOPPFJ-UHFFFAOYSA-N |
| TotalMolweight | 453.767 |
| Molweight | 453.767 |
| MonoisotopicMass | 451.905556 |
| CLogP | 2.8024 |
| CLogS | -6.254 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.74 |
| Relative PSA | 0.303 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 2.2131 |
| 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-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide | 2 - N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide
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