(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
Formula:C22H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C22H21N3O4S |
| Smiles | O=C(CN(C(/C(/S1)=C\C=C\c2ccco2)=O)C1=O)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C22H21N3O4S/c26-20(24-13-11-23(12-14-24)17-6-2-1-3-7-17)16-25-21(27)19(30-22(25)28)10-4-8-18-9-5-15-29-18/h1-10,15H,11-14,16H2 |
| InChIK | BXZULJYVPUWBIW-UHFFFAOYSA-N |
| TotalMolweight | 423.492 |
| Molweight | 423.492 |
| MonoisotopicMass | 423.125277 |
| CLogP | 2.5114 |
| CLogS | -3.6 |
| H Acceptors | 7 |
| TotalSurfaceArea | 317.36 |
| Relative PSA | 0.2564 |
| PolarSurfaceArea | 99.37 |
| Druglikeness | 7.6301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
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