(5Z)-5-[[4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H23NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H23NO4S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)ccc2OCCOCCOc2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C26H23NO4S2/c28-25-24(33-26(32)27(25)21-7-3-1-4-8-21)19-20-11-13-23(14-12-20)31-18-16-29-15-17-30-22-9-5-2-6-10-22/h1-14,19H,15-18H2 |
| InChIK | LRWYLUHDDVGFDZ-UHFFFAOYSA-N |
| TotalMolweight | 477.604 |
| Molweight | 477.604 |
| MonoisotopicMass | 477.106849 |
| CLogP | 4.1548 |
| CLogS | -6.172 |
| H Acceptors | 5 |
| TotalSurfaceArea | 367.28 |
| Relative PSA | 0.25071 |
| PolarSurfaceArea | 105.39 |
| Druglikeness | -8.6399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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