| MolName | (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C27H17NO2ClFS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2Cl)N1c(cc1)ccc1F |
| InChI | InChI=1S/C27H17ClFNO2S2/c28-19-8-5-17(6-9-19)16-32-24-14-7-18-3-1-2-4-22(18)23(24)15-25-26(31)30(27(33)34-25)21-12-10-20(29)11-13-21/h1-15H,16H2 |
| InChIK | ZQNGJGANJDTKFR-UHFFFAOYSA-N |
| TotalMolweight | 506.02 |
| Molweight | 506.02 |
| MonoisotopicMass | 505.037324 |
| CLogP | 6.1416 |
| CLogS | -8.98 |
| H Acceptors | 3 |
| TotalSurfaceArea | 362.37 |
| Relative PSA | 0.19891 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 1.3228 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one