(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-phenoxyanilino)methyl]-1,3-thiazolidine-2,4-dione
Formula:C23H17N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-phenoxyanilino)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-phenoxyanilino)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C23H17N2O3ClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)N(CNc(cc2)ccc2Oc2ccccc2)C1=O |
| InChI | InChI=1S/C23H17ClN2O3S/c24-17-8-6-16(7-9-17)14-21-22(27)26(23(28)30-21)15-25-18-10-12-20(13-11-18)29-19-4-2-1-3-5-19/h1-14,25H,15H2 |
| InChIK | CHKPWYKJLVVMNN-UHFFFAOYSA-N |
| TotalMolweight | 436.918 |
| Molweight | 436.918 |
| MonoisotopicMass | 436.06484 |
| CLogP | 4.9053 |
| CLogS | -7.641 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.92 |
| Relative PSA | 0.21571 |
| PolarSurfaceArea | 83.94 |
| Druglikeness | 3.7787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-phenoxyanilino)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-phenoxyanilino)methyl]-1,3-thiazolidine-2,4-dione
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