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

Formula:C25H16N4O3BrClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(3-bromophenyl)-1-[5-[(2-chlorophenyl)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-bromophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormulaC25H16N4O3BrClS2
SmilesO/C(/c1ccncc1)=C(\C(c1cccc(Br)c1)N(C1=O)c2nnc(SCc(cccc3)c3Cl)s2)/C1=O
InChIInChI=1S/C25H16BrClN4O3S2/c26-17-6-3-5-15(12-17)20-19(21(32)14-8-10-28-11-9-14)22(33)23(34)31(20)24-29-30-25(36-24)35-13-16-4-1-2-7-18(16)27/h1-12,20,32H,13H2/t20-/m1/s1
InChIKHMPXDYMJYJMFTI-HXUWFJFHSA-N
TotalMolweight599.916
Molweight599.916
MonoisotopicMass597.953569
CLogP5.0637
CLogS-6.976
H Acceptors7
H Donors1
TotalSurfaceArea384.13
Relative PSA0.29545
PolarSurfaceArea149.82
Druglikeness-0.49246
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.47222
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoConracemate

Request More Details | (4E)-5-(3-bromophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione


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