(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H13N2O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H13N2O4FS |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccco1)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O |
| InChI | InChI=1S/C22H13FN2O4S/c23-13-8-9-14-16(11-13)30-22(24-14)25-18(15-7-4-10-29-15)17(20(27)21(25)28)19(26)12-5-2-1-3-6-12/h1-11,18,26H/b19-17+/t18-/m0/s1 |
| InChIK | LBDCGXDIXAHEDU-GHNGSUTGSA-N |
| TotalMolweight | 420.419 |
| Molweight | 420.419 |
| MonoisotopicMass | 420.058006 |
| CLogP | 3.5262 |
| CLogS | -4.956 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.19 |
| Relative PSA | 0.30176 |
| PolarSurfaceArea | 111.88 |
| Druglikeness | -1.5354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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