(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H10NO2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10NO2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C/C=C/c2ccco2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H10F3NO2S2/c18-17(19,20)11-4-1-5-12(10-11)21-15(22)14(25-16(21)24)8-2-6-13-7-3-9-23-13/h1-10H |
| InChIK | AVPQLOMHHAJCAQ-UHFFFAOYSA-N |
| TotalMolweight | 381.397 |
| Molweight | 381.397 |
| MonoisotopicMass | 381.010503 |
| CLogP | 3.5859 |
| CLogS | -5.755 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.13 |
| Relative PSA | 0.28415 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | -4.4439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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