(5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione

Formula:C21H15N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.

MolName(5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC21H15N2O2ClS2
SmilesO=C(/C(/N1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H15ClN2O2S2/c22-15-6-8-16(9-7-15)27-19-11-10-17(28-19)12-18-20(25)24(21(26)23-18)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)
InChIKCUVILVOAEBKWTM-UHFFFAOYSA-N
TotalMolweight426.947
Molweight426.947
MonoisotopicMass426.026345
CLogP5.0377
CLogS-6.246
H Acceptors4
H Donors1
TotalSurfaceArea303.86
Relative PSA0.25979
PolarSurfaceArea102.95
Druglikeness5.8342
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.64286
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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