(5E)-3-benzyl-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H18NO2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H18NO2ClS2 |
| Smiles | O=C(/C(/S1)=C\c2cccc(OCc(cc3)ccc3Cl)c2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C24H18ClNO2S2/c25-20-11-9-18(10-12-20)16-28-21-8-4-7-19(13-21)14-22-23(27)26(24(29)30-22)15-17-5-2-1-3-6-17/h1-14H,15-16H2 |
| InChIK | GGGKKVKAPHNYAX-UHFFFAOYSA-N |
| TotalMolweight | 451.997 |
| Molweight | 451.997 |
| MonoisotopicMass | 451.046746 |
| CLogP | 4.7693 |
| CLogS | -6.538 |
| H Acceptors | 3 |
| TotalSurfaceArea | 335.18 |
| Relative PSA | 0.21505 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 3.8222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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