(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H16NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16NO3ClS2 |
| Smiles | O=C(/C(/S1)=C/c2cccc(OCc(cc3)ccc3Cl)c2)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C22H16ClNO3S2/c23-17-8-6-15(7-9-17)14-27-18-4-1-3-16(11-18)12-20-21(25)24(22(28)29-20)13-19-5-2-10-26-19/h1-12H,13-14H2 |
| InChIK | GKUIAGBYIZQRLJ-UHFFFAOYSA-N |
| TotalMolweight | 441.958 |
| Molweight | 441.958 |
| MonoisotopicMass | 441.026011 |
| CLogP | 3.958 |
| CLogS | -6.22 |
| H Acceptors | 4 |
| TotalSurfaceArea | 324.87 |
| Relative PSA | 0.26531 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 3.6812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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