(5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione

Formula:C17H11N2O2BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
MolecularFormulaC17H11N2O2BrCl2
SmilesO=C(/C(/N1)=C\c(ccc(Cl)c2)c2Cl)N(Cc(cc2)ccc2Br)C1=O
InChIInChI=1S/C17H11BrCl2N2O2/c18-12-4-1-10(2-5-12)9-22-16(23)15(21-17(22)24)7-11-3-6-13(19)8-14(11)20/h1-8H,9H2,(H,21,24)
InChIKGBJRUEXSSCWXNB-UHFFFAOYSA-N
TotalMolweight426.096
Molweight426.096
MonoisotopicMass423.938093
CLogP4.4765
CLogS-6.003
H Acceptors4
H Donors1
TotalSurfaceArea264.72
Relative PSA0.15522
PolarSurfaceArea49.41
Druglikeness3.1117
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amides2
StereoCon

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