(5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C27H16N2O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C27H16N2O2ClF3S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c2ccc(-c(cc(C(F)(F)F)cc3)c3Cl)o2)N1c1ccccc1 |
| InChI | InChI=1S/C27H16ClF3N2O2S/c28-22-13-11-17(27(29,30)31)15-21(22)23-14-12-20(35-23)16-24-25(34)33(19-9-5-2-6-10-19)26(36-24)32-18-7-3-1-4-8-18/h1-16H |
| InChIK | GTVMSAYFEDSLQB-UHFFFAOYSA-N |
| TotalMolweight | 524.949 |
| Molweight | 524.949 |
| MonoisotopicMass | 524.057309 |
| CLogP | 7.0712 |
| CLogS | -8.824 |
| H Acceptors | 4 |
| TotalSurfaceArea | 366.83 |
| Relative PSA | 0.16275 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | -2.855 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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