(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C21H19N2O3ClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H19N2O3ClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N2CCOCC2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C21H19ClN2O3S/c22-17-5-1-16(2-6-17)14-24-20(25)19(28-21(24)26)13-15-3-7-18(8-4-15)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2 |
| InChIK | MBDXPCPFUYJYRS-UHFFFAOYSA-N |
| TotalMolweight | 414.912 |
| Molweight | 414.912 |
| MonoisotopicMass | 414.08049 |
| CLogP | 3.4354 |
| CLogS | -4.949 |
| H Acceptors | 5 |
| TotalSurfaceArea | 298.54 |
| Relative PSA | 0.20322 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 3.8711 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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