N-(4-fluorophenyl)-2-[(5E)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Formula:C23H21N4O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[(5E)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[(5E)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C23H21N4O5FS |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1CC(Nc(cc2)ccc2F)=O)=O)/SC1=O)cc1)c1N1CCCCC1)=O |
| InChI | InChI=1S/C23H21FN4O5S/c24-16-5-7-17(8-6-16)25-21(29)14-27-22(30)20(34-23(27)31)13-15-4-9-18(19(12-15)28(32)33)26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,25,29) |
| InChIK | YSBFVZBLCDKCSO-UHFFFAOYSA-N |
| TotalMolweight | 484.507 |
| Molweight | 484.507 |
| MonoisotopicMass | 484.121669 |
| CLogP | 2.5469 |
| CLogS | -5.827 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 346.11 |
| Relative PSA | 0.30508 |
| PolarSurfaceArea | 140.84 |
| Druglikeness | -2.6989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-fluorophenyl)-2-[(5E)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[(5E)-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off