(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C20H12N2O2Br2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C20H12N2O2Br2S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c(o2)cc(Br)c2Br)N1c1ccccc1 |
| InChI | InChI=1S/C20H12Br2N2O2S/c21-16-11-15(26-18(16)22)12-17-19(25)24(14-9-5-2-6-10-14)20(27-17)23-13-7-3-1-4-8-13/h1-12H |
| InChIK | NLEQBOBHANEZST-UHFFFAOYSA-N |
| TotalMolweight | 504.201 |
| Molweight | 504.201 |
| MonoisotopicMass | 501.89862 |
| CLogP | 5.4145 |
| CLogS | -6.963 |
| H Acceptors | 4 |
| TotalSurfaceArea | 299.45 |
| Relative PSA | 0.19937 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | -2.064 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off