(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Molecular Formula : C23H18N2O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione |
MolecularFormula : C23H18N2O6 |
Smiles : O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccco1)N(Cc1cnccc1)C1=O)/C1=O |
InChI : InChI=1S/C23H18N2O6/c26-21(15-5-6-16-18(11-15)31-10-9-30-16)19-20(17-4-2-8-29-17)25(23(28)22(19)27)13-14-3-1-7-24-12-14/h1-8,11-12,20,26H,9-10,13H2/t20-/m1/s1 |
InChIK : KZGLEJBSNWHWRU-HXUWFJFHSA-N |
TotalMolweight : 418.404 |
Molweight : 418.404 |
MonoisotopicMass : 418.116488 |
CLogP : 1.5238 |
CLogS : -2.54 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 303.08 |
Relative PSA : 0.28973 |
PolarSurfaceArea : 102.1 |
Druglikeness : -6.6161 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.48387 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 7 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : racemate |
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
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