2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide
Formula:C23H18N3O5FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C23H18N3O5FS3 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C23H18FN3O5S3/c24-13-5-7-14(8-6-13)25-18(28)11-26-17-4-2-1-3-16(17)19(21(26)29)20-22(30)27(23(33)34-20)15-9-10-35(31,32)12-15/h1-8,15H,9-12H2,(H,25,28)/t15-/m1/s1 |
| InChIK | ZKLHKWJWDSFQMG-OAHLLOKOSA-N |
| TotalMolweight | 531.608 |
| Molweight | 531.608 |
| MonoisotopicMass | 531.03926 |
| CLogP | 0.4114 |
| CLogS | -4.863 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.42 |
| Relative PSA | 0.37279 |
| PolarSurfaceArea | 169.63 |
| Druglikeness | 2.2252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide | 2 - 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off