(5E)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H13NO2BrClF2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H13NO2BrClF2S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc(cc2)Br)c2OCc(c(F)ccc2)c2Cl)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C23H13BrClF2NO2S2/c24-14-7-8-20(30-12-17-18(25)5-2-6-19(17)27)13(9-14)10-21-22(29)28(23(31)32-21)16-4-1-3-15(26)11-16/h1-11H,12H2 |
| InChIK | PVPOKTGMXCRZFS-UHFFFAOYSA-N |
| TotalMolweight | 552.846 |
| Molweight | 552.846 |
| MonoisotopicMass | 550.922763 |
| CLogP | 5.7732 |
| CLogS | -8.522 |
| H Acceptors | 3 |
| TotalSurfaceArea | 352.75 |
| Relative PSA | 0.20434 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | -0.46718 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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