(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C23H19NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C23H19NO3S |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccs1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C23H19NO3S/c25-21(17-10-5-2-6-11-17)19-20(18-12-7-15-28-18)24(23(27)22(19)26)14-13-16-8-3-1-4-9-16/h1-12,15,20,25H,13-14H2/t20-/m0/s1 |
| InChIK | WHKVWECUERMWNR-FQEVSTJZSA-N |
| TotalMolweight | 389.474 |
| Molweight | 389.474 |
| MonoisotopicMass | 389.108564 |
| CLogP | 3.6539 |
| CLogS | -3.593 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.31 |
| Relative PSA | 0.21732 |
| PolarSurfaceArea | 85.85 |
| Druglikeness | 2.2225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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