N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
Formula:C25H20N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-[(4-fluorophenyl)methoxy]benzamide is a drug-like molecule.
| MolName | N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-[(4-fluorophenyl)methoxy]benzamide |
| MolecularFormula | C25H20N3O4FS |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)NCCN(C(/C(/S1)=C\c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C25H20FN3O4S/c26-19-9-7-17(8-10-19)16-33-21-6-2-1-5-20(21)23(30)28-12-13-29-24(31)22(34-25(29)32)14-18-4-3-11-27-15-18/h1-11,14-15H,12-13,16H2,(H,28,30) |
| InChIK | PKGFMWPBXJUMQE-UHFFFAOYSA-N |
| TotalMolweight | 477.515 |
| Molweight | 477.515 |
| MonoisotopicMass | 477.115855 |
| CLogP | 3.1241 |
| CLogS | -4.884 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 352.88 |
| Relative PSA | 0.26238 |
| PolarSurfaceArea | 113.9 |
| Druglikeness | 4.1652 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-[(4-fluorophenyl)methoxy]benzamide | 2 - N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
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