(5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C26H17N3O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC26H17N3O3ClF
SmilesO=C(/C(/C(N1c2cc(F)ccc2)=O)=C\c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)NC1=O
InChIInChI=1S/C26H17ClFN3O3/c27-18-10-8-16(9-11-18)14-30-15-17(21-6-1-2-7-23(21)30)12-22-24(32)29-26(34)31(25(22)33)20-5-3-4-19(28)13-20/h1-13,15H,14H2,(H,29,32,34)
InChIKWALRFKXSRHEOTG-UHFFFAOYSA-N
TotalMolweight473.89
Molweight473.89
MonoisotopicMass473.094247
CLogP4.3919
CLogS-5.915
H Acceptors6
H Donors1
TotalSurfaceArea338.33
Relative PSA0.1803
PolarSurfaceArea71.41
Druglikeness4.2572
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms1
Symmetricatoms2
Amides2
Aromatic Nitrogens1
StereoCon

Request More Details | (5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione


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