(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C26H17N2O2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C26H17N2O2Cl2FS |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C26H17Cl2FN2O2S/c27-20-10-9-16(11-21(20)28)13-31-25(32)24(34-26(31)33)12-18-15-30(23-8-4-2-6-19(18)23)14-17-5-1-3-7-22(17)29/h1-12,15H,13-14H2 |
| InChIK | JBMBSCHWWQCFBZ-UHFFFAOYSA-N |
| TotalMolweight | 511.403 |
| Molweight | 511.403 |
| MonoisotopicMass | 510.03718 |
| CLogP | 6.0029 |
| CLogS | -6.874 |
| H Acceptors | 4 |
| TotalSurfaceArea | 355.79 |
| Relative PSA | 0.15175 |
| PolarSurfaceArea | 67.61 |
| Druglikeness | 3.2719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| 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)-3-[(3,4-dichlorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off