(5Z)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C28H18NO2F3S2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C28H18NO2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cc(OCc3cccc4ccccc34)ccc2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C28H18F3NO2S2/c29-28(30,31)21-10-5-11-22(16-21)32-26(33)25(36-27(32)35)15-18-6-3-12-23(14-18)34-17-20-9-4-8-19-7-1-2-13-24(19)20/h1-16H,17H2 |
| InChIK | ZRJSBFMSOPWFPX-UHFFFAOYSA-N |
| TotalMolweight | 521.582 |
| Molweight | 521.582 |
| MonoisotopicMass | 521.073103 |
| CLogP | 6.2831 |
| CLogS | -8.708 |
| H Acceptors | 3 |
| TotalSurfaceArea | 370.06 |
| Relative PSA | 0.19478 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | -4.5999 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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