2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Formula:C18H14N2O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione |
| MolecularFormula | C18H14N2O3Cl2S2 |
| Smiles | O=C(C(CCCC1)C1C1=O)N1N(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=S |
| InChI | InChI=1S/C18H14Cl2N2O3S2/c19-10-6-5-9(13(20)8-10)7-14-17(25)22(18(26)27-14)21-15(23)11-3-1-2-4-12(11)16(21)24/h5-8,11-12H,1-4H2 |
| InChIK | FBHINWQNCQTZNB-UHFFFAOYSA-N |
| TotalMolweight | 441.358 |
| Molweight | 441.358 |
| MonoisotopicMass | 439.982287 |
| CLogP | 1.5921 |
| CLogS | -5.795 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.4 |
| Relative PSA | 0.31365 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | -0.85654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | 2 - 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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