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N-(3-bromophenyl)-2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide

Formula:C26H19N4O3BrS4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-bromophenyl)-2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
MolNameN-(3-bromophenyl)-2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide
MolecularFormulaC26H19N4O3BrS4
SmilesO=C(CSc1nc(cccc2)c2n1C(CCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)Nc1cccc(Br)c1
InChIInChI=1S/C26H19BrN4O3S4/c27-16-5-3-6-17(13-16)28-22(32)15-37-25-29-19-8-1-2-9-20(19)31(25)23(33)10-11-30-24(34)21(38-26(30)35)14-18-7-4-12-36-18/h1-9,12-14H,10-11,15H2,(H,28,32)
InChIKZAUDFQMVPQHKHV-UHFFFAOYSA-N
TotalMolweight643.63
Molweight643.63
MonoisotopicMass641.952332
CLogP4.896
CLogS-7.301
H Acceptors7
H Donors1
TotalSurfaceArea425.1
Relative PSA0.36535
PolarSurfaceArea195.23
Druglikeness3.7838
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms6
Amides2
Aromatic Nitrogens2
StereoCon

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