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2-[(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide

Formula:C33H28N3O5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide is not a drug-like molecule.
MolName2-[(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
MolecularFormulaC33H28N3O5ClS
SmilesO=C(CN(C(/C(/S1)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2Cl)=O)C1=O)Nc(cc1)ccc1N1CCOCC1
InChIInChI=1S/C33H28ClN3O5S/c34-24-8-5-22(6-9-24)21-42-29-14-7-23-3-1-2-4-27(23)28(29)19-30-32(39)37(33(40)43-30)20-31(38)35-25-10-12-26(13-11-25)36-15-17-41-18-16-36/h1-14,19H,15-18,20-21H2,(H,35,38)
InChIKRJOGQSWPTLLVIK-UHFFFAOYSA-N
TotalMolweight614.12
Molweight614.12
MonoisotopicMass613.143819
CLogP5.3522
CLogS-7.847
H Acceptors8
H Donors1
TotalSurfaceArea445.87
Relative PSA0.21345
PolarSurfaceArea113.48
Druglikeness4.6102
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.55814
Fragments1
Non HAtoms43
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms6
Amides2
Amines1
Aromatic Amines1
StereoCon

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