(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C24H14N2O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H14N2O3F2S |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O |
| InChI | InChI=1S/C24H14F2N2O3S/c25-15-8-6-13(7-9-15)20-19(21(29)14-4-2-1-3-5-14)22(30)23(31)28(20)24-27-17-11-10-16(26)12-18(17)32-24/h1-12,20,29H/t20-/m1/s1 |
| InChIK | ZAYNSVPITQDRCW-HXUWFJFHSA-N |
| TotalMolweight | 448.448 |
| Molweight | 448.448 |
| MonoisotopicMass | 448.069319 |
| CLogP | 4.4383 |
| CLogS | -5.588 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.85 |
| Relative PSA | 0.23979 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | -1.5003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| 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 | 1 |
| StereoCon | racemate |
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1 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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