(5Z)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
Formula:C28H19N2O3Br2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C28H19N2O3Br2FS |
| Smiles | O=C(/C(/S1)=C/c(cc2Br)cc(Br)c2OCc(cc2)ccc2F)N(Cc2ccco2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C28H19Br2FN2O3S/c29-23-13-19(14-24(30)26(23)36-17-18-8-10-20(31)11-9-18)15-25-27(34)33(16-22-7-4-12-35-22)28(37-25)32-21-5-2-1-3-6-21/h1-15H,16-17H2 |
| InChIK | VMYWIWRIKFJHAM-UHFFFAOYSA-N |
| TotalMolweight | 642.342 |
| Molweight | 642.342 |
| MonoisotopicMass | 639.946713 |
| CLogP | 6.6889 |
| CLogS | -8.333 |
| H Acceptors | 5 |
| TotalSurfaceArea | 403.08 |
| Relative PSA | 0.17292 |
| PolarSurfaceArea | 80.34 |
| Druglikeness | 0.93282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
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