(5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H14N2OCl3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H14N2OCl3FS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cn(Cc(ccc(F)c3)c3Cl)c3c2cccc3)N1c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C25H14Cl3FN2OS2/c26-16-6-8-22(20(28)10-16)31-24(32)23(34-25(31)33)9-15-13-30(21-4-2-1-3-18(15)21)12-14-5-7-17(29)11-19(14)27/h1-11,13H,12H2 |
| InChIK | LBWPRLVAFPMZMI-UHFFFAOYSA-N |
| TotalMolweight | 547.888 |
| Molweight | 547.888 |
| MonoisotopicMass | 545.959712 |
| CLogP | 6.3408 |
| CLogS | -8.483 |
| H Acceptors | 3 |
| TotalSurfaceArea | 372.41 |
| Relative PSA | 0.18515 |
| PolarSurfaceArea | 82.63 |
| Druglikeness | 2.6354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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