(5Z)-3-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8NOBrCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8NOBrCl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(c(Cl)ccc2)c2Cl)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C16H8BrCl2NOS2/c17-9-4-6-10(7-5-9)20-15(21)14(23-16(20)22)8-11-12(18)2-1-3-13(11)19/h1-8H |
| InChIK | WOISAZQREBJUQZ-UHFFFAOYSA-N |
| TotalMolweight | 445.188 |
| Molweight | 445.188 |
| MonoisotopicMass | 442.860769 |
| CLogP | 4.8295 |
| CLogS | -7.289 |
| H Acceptors | 2 |
| TotalSurfaceArea | 271.95 |
| Relative PSA | 0.22828 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 1.0396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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