(5Z)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H13NO2Br2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H13NO2Br2Cl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2Br)cc(Br)c2OCc(cccc2)c2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H13Br2Cl2NO2S2/c24-17-9-13(10-18(25)21(17)30-12-14-3-1-2-4-19(14)27)11-20-22(29)28(23(31)32-20)16-7-5-15(26)6-8-16/h1-11H,12H2 |
| InChIK | DIXPAOHLSUYECB-UHFFFAOYSA-N |
| TotalMolweight | 630.207 |
| Molweight | 630.207 |
| MonoisotopicMass | 626.813145 |
| CLogP | 6.9028 |
| CLogS | -9.464 |
| H Acceptors | 3 |
| TotalSurfaceArea | 374.1 |
| Relative PSA | 0.19268 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 0.87282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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