(5Z)-3-(3-chlorophenyl)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H15NO2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-chlorophenyl)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(3-chlorophenyl)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H15NO2Cl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cccc(OCc(cccc3)c3Cl)c2)N1c1cc(Cl)ccc1 |
| InChI | InChI=1S/C23H15Cl2NO2S2/c24-17-7-4-8-18(13-17)26-22(27)21(30-23(26)29)12-15-5-3-9-19(11-15)28-14-16-6-1-2-10-20(16)25/h1-13H,14H2 |
| InChIK | FXIQUWSKACAVCI-UHFFFAOYSA-N |
| TotalMolweight | 472.415 |
| Molweight | 472.415 |
| MonoisotopicMass | 470.992123 |
| CLogP | 5.4524 |
| CLogS | -7.796 |
| H Acceptors | 3 |
| TotalSurfaceArea | 336.84 |
| Relative PSA | 0.21399 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 2.6628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(3-chlorophenyl)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-chlorophenyl)-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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