(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C26H17N2O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C26H17N2O2Cl3S |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)N(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C26H17Cl3N2O2S/c27-19-8-5-16(6-9-19)13-30-15-18(20-3-1-2-4-23(20)30)12-24-25(32)31(26(33)34-24)14-17-7-10-21(28)22(29)11-17/h1-12,15H,13-14H2 |
| InChIK | HTYBBYWEFZTGRR-UHFFFAOYSA-N |
| TotalMolweight | 527.858 |
| Molweight | 527.858 |
| MonoisotopicMass | 526.007629 |
| CLogP | 6.5081 |
| CLogS | -7.296 |
| H Acceptors | 4 |
| TotalSurfaceArea | 364.86 |
| Relative PSA | 0.14797 |
| PolarSurfaceArea | 67.61 |
| Druglikeness | 4.6119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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