Menu

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

Formula:C32H22N3O5FS2 Mutagenic:low Tumorigenic:high Reproductive Effective:high (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-[5-(naphthalen-1-ylmethylsulfanyl)-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-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormulaC32H22N3O5FS2
SmilesO/C(/c(cc1)cc2c1OCCO2)=C(\C(c(cccc1)c1F)N(C1=O)c2nnc(SCc3cccc4ccccc34)s2)/C1=O
InChIInChI=1S/C32H22FN3O5S2/c33-23-11-4-3-10-22(23)27-26(28(37)19-12-13-24-25(16-19)41-15-14-40-24)29(38)30(39)36(27)31-34-35-32(43-31)42-17-20-8-5-7-18-6-1-2-9-21(18)20/h1-13,16,27,37H,14-15,17H2/t27-/m1/s1
InChIKGNWMSTQDUWAUQN-HHHXNRCGSA-N
TotalMolweight611.673
Molweight611.673
MonoisotopicMass611.09849
CLogP6.0074
CLogS-8.303
H Acceptors8
H Donors1
TotalSurfaceArea426.29
Relative PSA0.28741
PolarSurfaceArea155.39
Druglikeness-7.1782
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46512
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms8
Amides1
Aromatic Nitrogens2
StereoConracemate

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


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