(5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
Formula:C19H14NO4F3S3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C19H14NO4F3S3 |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C19H14F3NO4S3/c20-19(21,22)12-3-1-2-11(8-12)15-5-4-14(27-15)9-16-17(24)23(18(28)29-16)13-6-7-30(25,26)10-13/h1-5,8-9,13H,6-7,10H2/t13-/m1/s1 |
| InChIK | NQZKHTUEPCHBHG-CYBMUJFWSA-N |
| TotalMolweight | 473.515 |
| Molweight | 473.515 |
| MonoisotopicMass | 473.003703 |
| CLogP | 2.548 |
| CLogS | -5.92 |
| H Acceptors | 5 |
| TotalSurfaceArea | 310.49 |
| Relative PSA | 0.33743 |
| PolarSurfaceArea | 133.36 |
| Druglikeness | -5.6678 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
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