(5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C26H16N2O2Cl3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C26H16N2O2Cl3FS |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc(ccc(F)c3)c3Cl)c3c2cccc3)N(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C26H16Cl3FN2O2S/c27-20-8-5-15(9-22(20)29)12-32-25(33)24(35-26(32)34)10-17-14-31(23-4-2-1-3-19(17)23)13-16-6-7-18(30)11-21(16)28/h1-11,14H,12-13H2 |
| InChIK | ZLFPBZIUPOEVPC-UHFFFAOYSA-N |
| TotalMolweight | 545.848 |
| Molweight | 545.848 |
| MonoisotopicMass | 543.998207 |
| CLogP | 6.6089 |
| CLogS | -7.61 |
| H Acceptors | 4 |
| TotalSurfaceArea | 371.21 |
| Relative PSA | 0.14544 |
| PolarSurfaceArea | 67.61 |
| Druglikeness | 3.2719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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