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3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide

Formula:C22H22N4O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide is not a drug-like molecule.
MolName3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide
MolecularFormulaC22H22N4O7S2
SmilesO=C(CCNS(c(cc1)cc2c1OCCO2)(=O)=O)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O
InChIInChI=1S/C22H22N4O7S2/c27-20(5-7-25-35(30,31)16-3-4-17-18(13-16)33-11-10-32-17)24-8-9-26-21(28)19(34-22(26)29)12-15-2-1-6-23-14-15/h1-4,6,12-14,25H,5,7-11H2,(H,24,27)
InChIKLNNFOEOMMUIRDX-UHFFFAOYSA-N
TotalMolweight518.57
Molweight518.57
MonoisotopicMass518.092991
CLogP0.8787
CLogS-2.996
H Acceptors11
H Donors2
TotalSurfaceArea364.59
Relative PSA0.39121
PolarSurfaceArea177.68
Druglikeness-0.37047
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.62857
Fragments1
Non HAtoms35
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms1
Amides3
Aromatic Nitrogens1
StereoCon

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