(5E)-3-benzyl-5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H15NO2Cl4S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(5E)-3-benzyl-5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H15NO2Cl4S2 |
| Smiles | O=C(/C(/S1)=C\c2cc(Cl)cc(Cl)c2OCc(c(Cl)ccc2)c2Cl)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C24H15Cl4NO2S2/c25-16-9-15(22(20(28)11-16)31-13-17-18(26)7-4-8-19(17)27)10-21-23(30)29(24(32)33-21)12-14-5-2-1-3-6-14/h1-11H,12-13H2 |
| InChIK | IXUBMJAACYDBOT-UHFFFAOYSA-N |
| TotalMolweight | 555.332 |
| Molweight | 555.332 |
| MonoisotopicMass | 552.929827 |
| CLogP | 6.5873 |
| CLogS | -8.746 |
| H Acceptors | 3 |
| TotalSurfaceArea | 381.44 |
| Relative PSA | 0.18897 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 3.8222 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[3,5-dichloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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