(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C20H14N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C20H14N2O6S |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccco1)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C20H14N2O6S/c23-17(11-3-4-12-14(10-11)28-8-7-27-12)15-16(13-2-1-6-26-13)22(19(25)18(15)24)20-21-5-9-29-20/h1-6,9-10,16,23H,7-8H2/b17-15+/t16-/m0/s1 |
| InChIK | DYSBFMBHNQCWFX-UYTDBDHRSA-N |
| TotalMolweight | 410.405 |
| Molweight | 410.405 |
| MonoisotopicMass | 410.057258 |
| CLogP | 2.2271 |
| CLogS | -3.59 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.26 |
| Relative PSA | 0.3792 |
| PolarSurfaceArea | 130.34 |
| Druglikeness | -6.8418 |
| 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]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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