(5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

Formula:C15H11N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
MolecularFormulaC15H11N2O2BrS
SmilesO=C(/C(/N1)=C/c2cscc2)N(Cc(cc2)ccc2Br)C1=O
InChIInChI=1S/C15H11BrN2O2S/c16-12-3-1-10(2-4-12)8-18-14(19)13(17-15(18)20)7-11-5-6-21-9-11/h1-7,9H,8H2,(H,17,20)
InChIKNNDJYEGIUHJNEW-UHFFFAOYSA-N
TotalMolweight363.234
Molweight363.234
MonoisotopicMass361.972459
CLogP3.0489
CLogS-4.431
H Acceptors4
H Donors1
TotalSurfaceArea229.82
Relative PSA0.26738
PolarSurfaceArea77.65
Druglikeness3.5038
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.61905
Fragments1
Non HAtoms21
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Amides2
StereoCon

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