(5E)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H16NO2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H16NO2ClS2 |
| Smiles | O=C(/C(/SC1=S)=C\c2cccc(OCc(cccc3)c3Cl)c2)N1c1ccccc1 |
| InChI | InChI=1S/C23H16ClNO2S2/c24-20-12-5-4-8-17(20)15-27-19-11-6-7-16(13-19)14-21-22(26)25(23(28)29-21)18-9-2-1-3-10-18/h1-14H,15H2 |
| InChIK | AGDPKLYVQLXSRM-UHFFFAOYSA-N |
| TotalMolweight | 437.97 |
| Molweight | 437.97 |
| MonoisotopicMass | 437.031096 |
| CLogP | 4.8464 |
| CLogS | -7.06 |
| H Acceptors | 3 |
| TotalSurfaceArea | 321.42 |
| Relative PSA | 0.22425 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 2.6628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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