2-[4-[(Z)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
Formula:C25H24N3O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H24N3O5FS |
| Smiles | O=C(COc1ccc(/C=C(/C(N2CC(N3CCCCC3)=O)=O)\SC2=O)cc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C25H24FN3O5S/c26-18-6-8-19(9-7-18)27-22(30)16-34-20-10-4-17(5-11-20)14-21-24(32)29(25(33)35-21)15-23(31)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13,15-16H2,(H,27,30) |
| InChIK | OQXXCHGHZYDBOP-UHFFFAOYSA-N |
| TotalMolweight | 497.546 |
| Molweight | 497.546 |
| MonoisotopicMass | 497.14207 |
| CLogP | 3.0487 |
| CLogS | -4.754 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 363.95 |
| Relative PSA | 0.26984 |
| PolarSurfaceArea | 121.32 |
| Druglikeness | 2.1574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide | 2 - 2-[4-[(Z)-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
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