Menu

(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

Formula:C28H32N3O7ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
MolecularFormulaC28H32N3O7ClS
SmilesO/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=C(\C(c(cc1)ccc1Cl)N(CCCN1CCOCC1)C1=O)/C1=O
InChIInChI=1S/C28H32ClN3O7S/c29-22-6-2-20(3-7-22)25-24(27(34)28(35)32(25)11-1-10-30-12-16-38-17-13-30)26(33)21-4-8-23(9-5-21)40(36,37)31-14-18-39-19-15-31/h2-9,25,33H,1,10-19H2/t25-/m1/s1
InChIKSOPWLGJKQHZQOM-RUZDIDTESA-N
TotalMolweight590.095
Molweight590.095
MonoisotopicMass589.164949
CLogP1.7111
CLogS-1.85
H Acceptors10
H Donors1
TotalSurfaceArea416.05
Relative PSA0.23653
PolarSurfaceArea125.07
Druglikeness3.4006
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms17
Symmetricatoms9
Amides2
Amines1
AlkylAmines1
BasicNitrogens1
StereoConracemate

Request More Details | (4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments