(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
Formula:C23H14N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione |
| MolecularFormula | C23H14N3O3FS |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccncc1)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O |
| InChI | InChI=1S/C23H14FN3O3S/c24-15-6-7-16-17(12-15)31-23(26-16)27-19(13-8-10-25-11-9-13)18(21(29)22(27)30)20(28)14-4-2-1-3-5-14/h1-12,19,28H/t19-/m1/s1 |
| InChIK | QPEJPCPIIAZOSP-LJQANCHMSA-N |
| TotalMolweight | 431.446 |
| Molweight | 431.446 |
| MonoisotopicMass | 431.07399 |
| CLogP | 3.3366 |
| CLogS | -4.479 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.26 |
| Relative PSA | 0.28225 |
| PolarSurfaceArea | 111.63 |
| Druglikeness | -1.5003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione | 2 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off