Menu

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

Formula:C28H19N3O5F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormulaC28H19N3O5F2S2
SmilesO/C(/c(cc1)cc2c1OCCO2)=C(\C(c(cccc1)c1F)N(C1=O)c2nnc(SCc(cc3)ccc3F)s2)/C1=O
InChIInChI=1S/C28H19F2N3O5S2/c29-17-8-5-15(6-9-17)14-39-28-32-31-27(40-28)33-23(18-3-1-2-4-19(18)30)22(25(35)26(33)36)24(34)16-7-10-20-21(13-16)38-12-11-37-20/h1-10,13,23,34H,11-12,14H2/t23-/m1/s1
InChIKUEVGFXUCYAUHFM-HSZRJFAPSA-N
TotalMolweight579.603
Molweight579.603
MonoisotopicMass579.073418
CLogP4.9138
CLogS-7.011
H Acceptors8
H Donors1
TotalSurfaceArea398.04
Relative PSA0.30781
PolarSurfaceArea155.39
Druglikeness-7.1782
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms8
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoConracemate

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments