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(4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

Formula:C28H19N3O5Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
MolecularFormulaC28H19N3O5Cl2S2
SmilesO/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cc(Cl)ccc1)N(C1=O)c2nnc(SCc(cccc3)c3Cl)s2)/C1=O
InChIInChI=1S/C28H19Cl2N3O5S2/c29-18-6-3-5-15(12-18)23-22(24(34)16-8-9-20-21(13-16)38-11-10-37-20)25(35)26(36)33(23)27-31-32-28(40-27)39-14-17-4-1-2-7-19(17)30/h1-9,12-13,23,34H,10-11,14H2/t23-/m1/s1
InChIKLBMAEEKTBSEYBT-HSZRJFAPSA-N
TotalMolweight612.513
Molweight612.513
MonoisotopicMass611.014316
CLogP5.9242
CLogS-7.855
H Acceptors8
H Donors1
TotalSurfaceArea416.18
Relative PSA0.29439
PolarSurfaceArea155.39
Druglikeness-5.7869
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms8
Amides1
Aromatic Nitrogens2
StereoConracemate

Request More Details | (4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione


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