(5Z)-5-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H18NO2ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H18NO2ClS3 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)ccc2OCCSc(cc2)ccc2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C24H18ClNO2S3/c25-18-8-12-21(13-9-18)30-15-14-28-20-10-6-17(7-11-20)16-22-23(27)26(24(29)31-22)19-4-2-1-3-5-19/h1-13,16H,14-15H2 |
| InChIK | VZISCRFEJZMGPG-UHFFFAOYSA-N |
| TotalMolweight | 484.063 |
| Molweight | 484.063 |
| MonoisotopicMass | 483.018816 |
| CLogP | 5.4912 |
| CLogS | -7.749 |
| H Acceptors | 3 |
| TotalSurfaceArea | 352.67 |
| Relative PSA | 0.25398 |
| PolarSurfaceArea | 112.23 |
| Druglikeness | 2.7651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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