(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H8NOCl2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H8NOCl2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(ccc(Cl)c2)c2Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H8Cl2F3NOS2/c18-11-5-4-9(13(19)8-11)6-14-15(24)23(16(25)26-14)12-3-1-2-10(7-12)17(20,21)22/h1-8H |
| InChIK | BEXGMKKNNAZJIV-UHFFFAOYSA-N |
| TotalMolweight | 434.289 |
| Molweight | 434.289 |
| MonoisotopicMass | 432.937642 |
| CLogP | 4.9526 |
| CLogS | -7.233 |
| H Acceptors | 2 |
| TotalSurfaceArea | 282.78 |
| Relative PSA | 0.21953 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -4.3604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off