(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C20H14NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C20H14NO4ClS |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\[C@H](c1cccs1)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C20H14ClNO4S/c21-13-7-5-12(6-8-13)18(23)16-17(15-4-2-10-27-15)22(20(25)19(16)24)11-14-3-1-9-26-14/h1-10,17,23H,11H2/t17-/m0/s1 |
| InChIK | BZPGCXSSPUFVMA-KRWDZBQOSA-N |
| TotalMolweight | 399.853 |
| Molweight | 399.853 |
| MonoisotopicMass | 399.033206 |
| CLogP | 3.0185 |
| CLogS | -3.899 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.66 |
| Relative PSA | 0.27409 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 1.7711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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