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

Formula:C24H16N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName(5E)-1-(4-bromophenyl)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H16N2O4BrCl
SmilesO=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc(cccc2)c2Cl)NC1=O
InChIInChI=1S/C24H16BrClN2O4/c25-17-7-9-18(10-8-17)28-23(30)20(22(29)27-24(28)31)13-15-5-11-19(12-6-15)32-14-16-3-1-2-4-21(16)26/h1-13H,14H2,(H,27,29,31)
InChIKWNJDIJKLQFODMI-UHFFFAOYSA-N
TotalMolweight511.758
Molweight511.758
MonoisotopicMass509.998196
CLogP4.8347
CLogS-6.798
H Acceptors6
H Donors1
TotalSurfaceArea336.81
Relative PSA0.1904
PolarSurfaceArea75.71
Druglikeness2.7859
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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