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

Formula:C24H15N2O4BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName(5E)-1-(4-bromophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H15N2O4BrCl2
SmilesO=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)NC1=O
InChIInChI=1S/C24H15BrCl2N2O4/c25-16-4-7-18(8-5-16)29-23(31)20(22(30)28-24(29)32)11-14-1-9-19(10-2-14)33-13-15-3-6-17(26)12-21(15)27/h1-12H,13H2,(H,28,30,32)
InChIKAWXYMJMEDSITCD-UHFFFAOYSA-N
TotalMolweight546.203
Molweight546.203
MonoisotopicMass543.959223
CLogP5.4407
CLogS-7.534
H Acceptors6
H Donors1
TotalSurfaceArea352.23
Relative PSA0.18207
PolarSurfaceArea75.71
Druglikeness2.7859
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.60606
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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