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(4E)-5-(3,4-dichlorophenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Formula:C25H14N4O3Cl4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(3,4-dichlorophenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(3,4-dichlorophenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormulaC25H14N4O3Cl4S2
SmilesO/C(/c1ccncc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(C1=O)c2nnc(SCc(ccc(Cl)c3)c3Cl)s2)/C1=O
InChIInChI=1S/C25H14Cl4N4O3S2/c26-15-3-1-14(17(28)10-15)11-37-25-32-31-24(38-25)33-20(13-2-4-16(27)18(29)9-13)19(22(35)23(33)36)21(34)12-5-7-30-8-6-12/h1-10,20,34H,11H2/t20-/m1/s1
InChIKSFPJRSBHHBSQSG-HXUWFJFHSA-N
TotalMolweight624.355
Molweight624.355
MonoisotopicMass621.926139
CLogP6.1565
CLogS-8.35
H Acceptors7
H Donors1
TotalSurfaceArea411.76
Relative PSA0.27562
PolarSurfaceArea149.82
Druglikeness1.2975
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms13
Electronegative Atoms13
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoConracemate

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