(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C24H16NO3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H16NO3Cl3S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc(cccc2)c2Cl)N(Cc(c(Cl)ccc2)c2Cl)C1=O |
| InChI | InChI=1S/C24H16Cl3NO3S/c25-19-5-2-1-4-16(19)14-31-17-10-8-15(9-11-17)12-22-23(29)28(24(30)32-22)13-18-20(26)6-3-7-21(18)27/h1-12H,13-14H2 |
| InChIK | ARLYCHIMOZGJFU-UHFFFAOYSA-N |
| TotalMolweight | 504.82 |
| Molweight | 504.82 |
| MonoisotopicMass | 502.991645 |
| CLogP | 6.3265 |
| CLogS | -7.659 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.06 |
| Relative PSA | 0.16271 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 4.1937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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