(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C24H15NO2ClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H15NO2ClF3S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)ccc2OCc(cc2)ccc2Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C24H15ClF3NO2S2/c25-18-8-4-16(5-9-18)14-31-20-10-6-15(7-11-20)12-21-22(30)29(23(32)33-21)19-3-1-2-17(13-19)24(26,27)28/h1-13H,14H2 |
| InChIK | SBASOAZAWDOLQT-UHFFFAOYSA-N |
| TotalMolweight | 505.967 |
| Molweight | 505.967 |
| MonoisotopicMass | 505.01848 |
| CLogP | 5.6947 |
| CLogS | -7.838 |
| H Acceptors | 3 |
| TotalSurfaceArea | 350.88 |
| Relative PSA | 0.20543 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | -4.5272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60606 |
| 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 | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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