(5E)-1-(4-bromophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C24H16N2O4BrF Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-1-(4-bromophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H16N2O4BrF
SmilesO=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc(cc2)ccc2F)NC1=O
InChIInChI=1S/C24H16BrFN2O4/c25-17-5-9-19(10-6-17)28-23(30)21(22(29)27-24(28)31)13-15-3-11-20(12-4-15)32-14-16-1-7-18(26)8-2-16/h1-13H,14H2,(H,27,29,31)
InChIKUQKVIRJKRJTVNQ-UHFFFAOYSA-N
TotalMolweight495.303
Molweight495.303
MonoisotopicMass494.027747
CLogP4.3295
CLogS-6.376
H Acceptors6
H Donors1
TotalSurfaceArea327.74
Relative PSA0.19567
PolarSurfaceArea75.71
Druglikeness1.3873
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
Amides2
StereoCon

Request More Details | (5E)-1-(4-bromophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione


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