2-[(5Z)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Formula:C19H15N2O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(5Z)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(5Z)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione |
| MolecularFormula | C19H15N2O3F3S2 |
| Smiles | O=C(C(CCCC1)C1C1=O)N1N(C(/C(/S1)=C/c2c(C(F)(F)F)cccc2)=O)C1=S |
| InChI | InChI=1S/C19H15F3N2O3S2/c20-19(21,22)13-8-4-1-5-10(13)9-14-17(27)24(18(28)29-14)23-15(25)11-6-2-3-7-12(11)16(23)26/h1,4-5,8-9,11-12H,2-3,6-7H2 |
| InChIK | BEVQWIKXPPOJJL-UHFFFAOYSA-N |
| TotalMolweight | 440.465 |
| Molweight | 440.465 |
| MonoisotopicMass | 440.047617 |
| CLogP | 1.2284 |
| CLogS | -5.101 |
| H Acceptors | 5 |
| TotalSurfaceArea | 291.02 |
| Relative PSA | 0.31513 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | -8.0968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(5Z)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | 2 - 2-[(5Z)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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