(5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione

Formula:C23H22N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.

MolName(5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC23H22N3O5Br
SmilesO=C(COc(ccc(/C=C(/C(N1Cc2ccccc2)=O)\NC1=O)c1)c1Br)N1CCOCC1
InChIInChI=1S/C23H22BrN3O5/c24-18-12-17(6-7-20(18)32-15-21(28)26-8-10-31-11-9-26)13-19-22(29)27(23(30)25-19)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,25,30)
InChIKNEOCCPVQVWEUCS-UHFFFAOYSA-N
TotalMolweight500.348
Molweight500.348
MonoisotopicMass499.074283
CLogP2.5137
CLogS-4.021
H Acceptors8
H Donors1
TotalSurfaceArea337.23
Relative PSA0.23035
PolarSurfaceArea88.18
Druglikeness3.0078
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides3
StereoCon

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