(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C24H17NO3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H17NO3BrClS |
| Smiles | O=C(/C(/S1)=C/c(cc(cc2)Br)c2OCc2ccccc2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C24H17BrClNO3S/c25-19-8-11-21(30-15-17-4-2-1-3-5-17)18(12-19)13-22-23(28)27(24(29)31-22)14-16-6-9-20(26)10-7-16/h1-13H,14-15H2 |
| InChIK | MCVOHQCSYFZYBZ-UHFFFAOYSA-N |
| TotalMolweight | 514.826 |
| Molweight | 514.826 |
| MonoisotopicMass | 512.980102 |
| CLogP | 5.8397 |
| CLogS | -7.021 |
| H Acceptors | 4 |
| TotalSurfaceArea | 338.85 |
| Relative PSA | 0.16857 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 2.4037 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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