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4-[(5E)-5-[3-[4-(2-bromoanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-bromophenyl)butanamide

Formula:C26H22N4O4Br2S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5E)-5-[3-[4-(2-bromoanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-bromophenyl)butanamide is not a drug-like molecule.
MolName4-[(5E)-5-[3-[4-(2-bromoanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-bromophenyl)butanamide
MolecularFormulaC26H22N4O4Br2S4
SmilesO=C(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc(cccc3)c3Br)=O)=O)\SC2=S)=O)C1=S)Nc(cccc1)c1Br
InChIInChI=1S/C26H22Br2N4O4S4/c27-15-7-1-3-9-17(15)29-19(33)11-5-13-31-23(35)21(39-25(31)37)22-24(36)32(26(38)40-22)14-6-12-20(34)30-18-10-4-2-8-16(18)28/h1-4,7-10H,5-6,11-14H2,(H,29,33)(H,30,34)
InChIKIMGQKSIKJLKJLW-UHFFFAOYSA-N
TotalMolweight742.557
Molweight742.557
MonoisotopicMass739.889058
CLogP3.7804
CLogS-7.82
H Acceptors8
H Donors2
TotalSurfaceArea463.68
Relative PSA0.37345
PolarSurfaceArea213.6
Druglikeness1.9493
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms40
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms20
Amides4
StereoCon

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