(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H11NO3Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H11NO3Cl2S2 |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c(c(Cl)ccc3)c3Cl)o2)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C19H11Cl2NO3S2/c20-13-4-1-5-14(21)17(13)15-7-6-11(25-15)9-16-18(23)22(19(26)27-16)10-12-3-2-8-24-12/h1-9H,10H2 |
| InChIK | CGZDETRQCWKFSZ-UHFFFAOYSA-N |
| TotalMolweight | 436.338 |
| Molweight | 436.338 |
| MonoisotopicMass | 434.955738 |
| CLogP | 4.1548 |
| CLogS | -7.075 |
| H Acceptors | 4 |
| TotalSurfaceArea | 306.22 |
| Relative PSA | 0.29489 |
| PolarSurfaceArea | 103.98 |
| Druglikeness | 4.6249 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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