(5E)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C21H13NO2Cl2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5E)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H13NO2Cl2S3 |
| Smiles | O=C(/C(/S1)=C\c2ccc(Sc(cc3)ccc3Cl)s2)N(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C21H13Cl2NO2S3/c22-14-5-7-15(8-6-14)27-19-10-9-16(28-19)11-18-20(25)24(21(26)29-18)12-13-3-1-2-4-17(13)23/h1-11H,12H2 |
| InChIK | LGJGCFOLKSFJTC-UHFFFAOYSA-N |
| TotalMolweight | 478.443 |
| Molweight | 478.443 |
| MonoisotopicMass | 476.948543 |
| CLogP | 6.2648 |
| CLogS | -7.395 |
| H Acceptors | 3 |
| TotalSurfaceArea | 325.31 |
| Relative PSA | 0.2612 |
| PolarSurfaceArea | 116.22 |
| Druglikeness | 4.4988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
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