(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C24H16N2O5BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H16N2O5BrClS |
| Smiles | [O-][N+](c1ccc(CN(C(/C(/S2)=C\c(cc3)cc(Br)c3OCc(cc3)ccc3Cl)=O)C2=O)cc1)=O |
| InChI | InChI=1S/C24H16BrClN2O5S/c25-20-11-17(5-10-21(20)33-14-16-1-6-18(26)7-2-16)12-22-23(29)27(24(30)34-22)13-15-3-8-19(9-4-15)28(31)32/h1-12H,13-14H2 |
| InChIK | QSMGSHDRYJLBTN-UHFFFAOYSA-N |
| TotalMolweight | 559.823 |
| Molweight | 559.823 |
| MonoisotopicMass | 557.965181 |
| CLogP | 4.9181 |
| CLogS | -7.481 |
| H Acceptors | 7 |
| TotalSurfaceArea | 362.52 |
| Relative PSA | 0.24148 |
| PolarSurfaceArea | 117.73 |
| Druglikeness | -2.64 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
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