(5E)-3-benzyl-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12NOBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12NOBrS2 |
| Smiles | O=C(/C(/S1)=C\c2cccc(Br)c2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C17H12BrNOS2/c18-14-8-4-7-13(9-14)10-15-16(20)19(17(21)22-15)11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChIK | NBSZPSVARFCTPC-UHFFFAOYSA-N |
| TotalMolweight | 390.324 |
| Molweight | 390.324 |
| MonoisotopicMass | 388.954365 |
| CLogP | 3.5404 |
| CLogS | -5.295 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.87 |
| Relative PSA | 0.24358 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 2.163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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