(4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C25H18N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName(4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormulaC25H18N3O2F
SmilesO=C(/C(/C1=O)=C/c2cn(Cc3cccc(F)c3)c3c2cccc3)NN1c1ccccc1
InChIInChI=1S/C25H18FN3O2/c26-19-8-6-7-17(13-19)15-28-16-18(21-11-4-5-12-23(21)28)14-22-24(30)27-29(25(22)31)20-9-2-1-3-10-20/h1-14,16H,15H2,(H,27,30)
InChIKIWTPAEZYMBJXBG-UHFFFAOYSA-N
TotalMolweight411.435
Molweight411.435
MonoisotopicMass411.138305
CLogP2.9741
CLogS-4.182
H Acceptors5
H Donors1
TotalSurfaceArea305.16
Relative PSA0.15716
PolarSurfaceArea54.34
Druglikeness3.9814
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

Request More Details | (4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione


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