(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C23H13NOClF3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C23H13NOClF3S3 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2Sc(cc2)ccc2Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H13ClF3NOS3/c24-16-8-10-18(11-9-16)31-19-7-2-1-4-14(19)12-20-21(29)28(22(30)32-20)17-6-3-5-15(13-17)23(25,26)27/h1-13H |
| InChIK | HXNIPOJCDGEFKL-UHFFFAOYSA-N |
| TotalMolweight | 508.007 |
| Molweight | 508.007 |
| MonoisotopicMass | 506.979985 |
| CLogP | 6.1677 |
| CLogS | -8.283 |
| H Acceptors | 2 |
| TotalSurfaceArea | 344.61 |
| Relative PSA | 0.2309 |
| PolarSurfaceArea | 103 |
| Druglikeness | -4.3604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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