Menu

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

Formula:C29H20N4O4S2 Mutagenic:low Tumorigenic:high Reproductive Effective:low (4E)-5-(4-hydroxyphenyl)-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-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormulaC29H20N4O4S2
SmilesO/C(/c1ccncc1)=C(\C(c(cc1)ccc1O)N(C1=O)c2nnc(SCc3cccc4ccccc34)s2)/C1=O
InChIInChI=1S/C29H20N4O4S2/c34-21-10-8-18(9-11-21)24-23(25(35)19-12-14-30-15-13-19)26(36)27(37)33(24)28-31-32-29(39-28)38-16-20-6-3-5-17-4-1-2-7-22(17)20/h1-15,24,34-35H,16H2/t24-/m1/s1
InChIKGOGNRKTUNDHVFO-XMMPIXPASA-N
TotalMolweight552.634
Molweight552.634
MonoisotopicMass552.092596
CLogP4.5812
CLogS-6.716
H Acceptors8
H Donors2
TotalSurfaceArea391.03
Relative PSA0.32373
PolarSurfaceArea170.05
Druglikeness1.2567
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
Sp3Atoms5
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoConracemate

Request More Details | (4E)-5-(4-hydroxyphenyl)-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