(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C24H15NO3Br2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H15NO3Br2I2S |
| Smiles | O=C(/C(/S1)=C/c(cc2I)cc(I)c2OCc(cc2)ccc2Br)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C24H15Br2I2NO3S/c25-17-5-1-14(2-6-17)12-29-23(30)21(33-24(29)31)11-16-9-19(27)22(20(28)10-16)32-13-15-3-7-18(26)8-4-15/h1-11H,12-13H2 |
| InChIK | VQGGSMZMKZYEEI-UHFFFAOYSA-N |
| TotalMolweight | 811.061 |
| Molweight | 811.061 |
| MonoisotopicMass | 808.722882 |
| CLogP | 6.8331 |
| CLogS | -9.151 |
| H Acceptors | 4 |
| TotalSurfaceArea | 394.62 |
| Relative PSA | 0.14475 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 2.7994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| 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 | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
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