(5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione

Formula:C18H12N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
MolecularFormulaC18H12N2O4BrCl
SmilesO=C(/C(/N1)=C/c(cc2OCOc2c2)c2Cl)N(Cc(cc2)ccc2Br)C1=O
InChIInChI=1S/C18H12BrClN2O4/c19-12-3-1-10(2-4-12)8-22-17(23)14(21-18(22)24)5-11-6-15-16(7-13(11)20)26-9-25-15/h1-7H,8-9H2,(H,21,24)
InChIKRAHFQBZJDVSYMF-UHFFFAOYSA-N
TotalMolweight435.66
Molweight435.66
MonoisotopicMass433.966896
CLogP3.9819
CLogS-5.978
H Acceptors6
H Donors1
TotalSurfaceArea269.56
Relative PSA0.22663
PolarSurfaceArea67.87
Druglikeness3.0554
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides2
StereoCon

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