Menu

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

Formula:C29H19N4O3FS2 Mutagenic:low Tumorigenic:high Reproductive Effective:low (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormulaC29H19N4O3FS2
SmilesO/C(/c1ccncc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2nnc(SCc3cccc4ccccc34)s2)/C1=O
InChIInChI=1S/C29H19FN4O3S2/c30-21-10-8-18(9-11-21)24-23(25(35)19-12-14-31-15-13-19)26(36)27(37)34(24)28-32-33-29(39-28)38-16-20-6-3-5-17-4-1-2-7-22(17)20/h1-15,24,35H,16H2/t24-/m1/s1
InChIKBAPREXVMDBRWSJ-XMMPIXPASA-N
TotalMolweight554.625
Molweight554.625
MonoisotopicMass554.088259
CLogP5.0277
CLogS-7.326
H Acceptors7
H Donors1
TotalSurfaceArea391.03
Relative PSA0.29023
PolarSurfaceArea149.82
Druglikeness-0.083333
Mutageniclow
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms39
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms4
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoConracemate

Request More Details | (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-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