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

Formula:C24H17N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-1-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H17N2O4Br
SmilesO=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc2ccccc2)NC1=O
InChIInChI=1S/C24H17BrN2O4/c25-18-8-10-19(11-9-18)27-23(29)21(22(28)26-24(27)30)14-16-6-12-20(13-7-16)31-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,26,28,30)
InChIKLZBJZTLVEQMTBH-UHFFFAOYSA-N
TotalMolweight477.313
Molweight477.313
MonoisotopicMass476.037169
CLogP4.2287
CLogS-6.062
H Acceptors6
H Donors1
TotalSurfaceArea321.39
Relative PSA0.19954
PolarSurfaceArea75.71
Druglikeness2.7273
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.6129
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
Amides2
StereoCon

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