(5E)-3-phenyl-2-phenylimino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
Formula:C27H17N2O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-phenyl-2-phenylimino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-phenyl-2-phenylimino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C27H17N2O2F3S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C27H17F3N2O2S/c28-27(29,30)19-9-7-8-18(16-19)23-15-14-22(34-23)17-24-25(33)32(21-12-5-2-6-13-21)26(35-24)31-20-10-3-1-4-11-20/h1-17H |
| InChIK | CHVGTJWPOVBUKZ-UHFFFAOYSA-N |
| TotalMolweight | 490.504 |
| Molweight | 490.504 |
| MonoisotopicMass | 490.096282 |
| CLogP | 6.4652 |
| CLogS | -8.088 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.41 |
| Relative PSA | 0.16989 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | -2.9082 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-3-phenyl-2-phenylimino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one | 2 - (5E)-3-phenyl-2-phenylimino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
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