(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H11N2O4ClS3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H11N2O4ClS3 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c(o2)ccc2Sc(cc2)ccc2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H |
| InChIK | OWBUIZNGKRRUNL-UHFFFAOYSA-N |
| TotalMolweight | 474.968 |
| Molweight | 474.968 |
| MonoisotopicMass | 473.956945 |
| CLogP | 3.6839 |
| CLogS | -7.41 |
| H Acceptors | 6 |
| TotalSurfaceArea | 328.51 |
| Relative PSA | 0.37777 |
| PolarSurfaceArea | 161.96 |
| Druglikeness | -1.1835 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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