(5Z)-5-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H17NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H17NO3Cl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2Cl)cc(Cl)c2OCCOc2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C24H17Cl2NO3S2/c25-19-13-16(14-20(26)22(19)30-12-11-29-18-9-5-2-6-10-18)15-21-23(28)27(24(31)32-21)17-7-3-1-4-8-17/h1-10,13-15H,11-12H2 |
| InChIK | HQAJBJJQLWZBMX-UHFFFAOYSA-N |
| TotalMolweight | 502.441 |
| Molweight | 502.441 |
| MonoisotopicMass | 501.002688 |
| CLogP | 5.4593 |
| CLogS | -7.723 |
| H Acceptors | 4 |
| TotalSurfaceArea | 360.6 |
| Relative PSA | 0.22762 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | -4.2172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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