(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C24H15N2O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H15N2O4FS |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cc(O)ccc1)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O |
| InChI | InChI=1S/C24H15FN2O4S/c25-15-9-10-17-18(12-15)32-24(26-17)27-20(14-7-4-8-16(28)11-14)19(22(30)23(27)31)21(29)13-5-2-1-3-6-13/h1-12,20,28-29H/t20-/m1/s1 |
| InChIK | LDOXAOWYCXMWTB-HXUWFJFHSA-N |
| TotalMolweight | 446.457 |
| Molweight | 446.457 |
| MonoisotopicMass | 446.073656 |
| CLogP | 3.9918 |
| CLogS | -4.978 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.85 |
| Relative PSA | 0.28221 |
| PolarSurfaceArea | 118.97 |
| 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 | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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