(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H14N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H14N2OCl2S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c2cccc(Cl)c2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C22H14Cl2N2OS/c23-18-13-7-8-15(20(18)24)14-19-21(27)26(17-11-5-2-6-12-17)22(28-19)25-16-9-3-1-4-10-16/h1-14H |
| InChIK | UKBNRNSJEYFUED-UHFFFAOYSA-N |
| TotalMolweight | 425.338 |
| Molweight | 425.338 |
| MonoisotopicMass | 424.020387 |
| CLogP | 5.89 |
| CLogS | -7.322 |
| H Acceptors | 3 |
| TotalSurfaceArea | 303.34 |
| Relative PSA | 0.15029 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.4133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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