(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C20H14N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C20H14N2O3S |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C20H14N2O3S/c23-17(14-9-5-2-6-10-14)15-16(13-7-3-1-4-8-13)22(19(25)18(15)24)20-21-11-12-26-20/h1-12,16,23H/t16-/m1/s1 |
| InChIK | DMUGFGUHBBXARI-MRXNPFEDSA-N |
| TotalMolweight | 362.408 |
| Molweight | 362.408 |
| MonoisotopicMass | 362.072513 |
| CLogP | 3.0596 |
| CLogS | -3.726 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.55 |
| Relative PSA | 0.28316 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | 0.18215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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