2-[4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Formula:C18H14N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C18H14N2O4S |
| Smiles | NC(COc1ccc(/C=C(/C(N2c3ccccc3)=O)\SC2=O)cc1)=O |
| InChI | InChI=1S/C18H14N2O4S/c19-16(21)11-24-14-8-6-12(7-9-14)10-15-17(22)20(18(23)25-15)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21) |
| InChIK | VIWTVSLZIYVZDG-UHFFFAOYSA-N |
| TotalMolweight | 354.385 |
| Molweight | 354.385 |
| MonoisotopicMass | 354.067428 |
| CLogP | 1.8997 |
| CLogS | -4.501 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.55 |
| Relative PSA | 0.3317 |
| PolarSurfaceArea | 115 |
| Druglikeness | 3.6055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
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