N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
Formula:C24H23N3O5F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide |
| MolecularFormula | C24H23N3O5F2S2 |
| Smiles | O=C(C(CC1)CCN1S(c(cccc1)c1F)(=O)=O)NCCN(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=O |
| InChI | InChI=1S/C24H23F2N3O5S2/c25-18-6-2-1-5-17(18)15-20-23(31)29(24(32)35-20)14-11-27-22(30)16-9-12-28(13-10-16)36(33,34)21-8-4-3-7-19(21)26/h1-8,15-16H,9-14H2,(H,27,30) |
| InChIK | DMXOGMXPBAPBOA-UHFFFAOYSA-N |
| TotalMolweight | 535.591 |
| Molweight | 535.591 |
| MonoisotopicMass | 535.104718 |
| CLogP | 2.5924 |
| CLogS | -4.369 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 369.87 |
| Relative PSA | 0.2805 |
| PolarSurfaceArea | 137.54 |
| Druglikeness | 7.4404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide | 2 - N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
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