(5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H14NO2Cl2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H14NO2Cl2FS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2OCc(c(F)ccc2)c2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H14Cl2FNO2S2/c24-15-8-10-16(11-9-15)27-22(28)21(31-23(27)30)12-14-4-1-2-7-20(14)29-13-17-18(25)5-3-6-19(17)26/h1-12H,13H2 |
| InChIK | OCEZOYGYGWRDJU-UHFFFAOYSA-N |
| TotalMolweight | 490.405 |
| Molweight | 490.405 |
| MonoisotopicMass | 488.982701 |
| CLogP | 5.5532 |
| CLogS | -8.11 |
| H Acceptors | 3 |
| TotalSurfaceArea | 343.19 |
| Relative PSA | 0.21003 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 1.3228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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