(5E)-5-benzylidene-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
Formula:C17H13N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H13N2O2FS |
| Smiles | O=C(/C(/S1)=C\c2ccccc2)N(CNc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C17H13FN2O2S/c18-13-6-8-14(9-7-13)19-11-20-16(21)15(23-17(20)22)10-12-4-2-1-3-5-12/h1-10,19H,11H2 |
| InChIK | VWKMYYRLMAIJQJ-UHFFFAOYSA-N |
| TotalMolweight | 328.366 |
| Molweight | 328.366 |
| MonoisotopicMass | 328.068176 |
| CLogP | 3.0045 |
| CLogS | -4.922 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.09 |
| Relative PSA | 0.24501 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 2.4471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-benzylidene-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-benzylidene-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
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