(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C20H14N2O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C20H14N2O5S2 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cccs1)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C20H14N2O5S2/c23-17(11-3-4-12-13(10-11)27-7-6-26-12)15-16(14-2-1-8-28-14)22(19(25)18(15)24)20-21-5-9-29-20/h1-5,8-10,16,23H,6-7H2/b17-15+/t16-/m0/s1 |
| InChIK | RYWYYFJHPBCWML-UYTDBDHRSA-N |
| TotalMolweight | 426.472 |
| Molweight | 426.472 |
| MonoisotopicMass | 426.034413 |
| CLogP | 2.905 |
| CLogS | -3.918 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.51 |
| Relative PSA | 0.39251 |
| PolarSurfaceArea | 145.44 |
| Druglikeness | -5.5834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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