(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C18H19N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C18H19N2O3FS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=O)N1CCCCCC1 |
| InChI | InChI=1S/C18H19FN2O3S/c19-14-8-4-3-7-13(14)11-15-17(23)21(18(24)25-15)12-16(22)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10,12H2 |
| InChIK | BEUKMGLUVZRQCZ-UHFFFAOYSA-N |
| TotalMolweight | 362.424 |
| Molweight | 362.424 |
| MonoisotopicMass | 362.110041 |
| CLogP | 2.6683 |
| CLogS | -3.732 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.98 |
| Relative PSA | 0.24043 |
| PolarSurfaceArea | 82.99 |
| Druglikeness | -0.69159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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