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

Formula:C22H20N3O4Br Mutagenic:none Tumorigenic:high Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H20N3O4Br
Smiles	Cc1c(/C=C(\C(NC(N2c3cccc(Br)c3)=O)=O)/C2=O)ccc(N2CCOCC2)c1
InChI	InChI=1S/C22H20BrN3O4/c1-14-11-17(25-7-9-30-10-8-25)6-5-15(14)12-19-20(27)24-22(29)26(21(19)28)18-4-2-3-16(23)13-18/h2-6,11-13H,7-10H2,1H3,(H,24,27,29)/b19-12+
InChIK	KLTUDRTXWGIJJR-XDHOZWIPSA-N
TotalMolweight	470.322
Molweight	470.322
MonoisotopicMass	469.063718
CLogP	2.8935
CLogS	-5.168
H Acceptors	7
H Donors	1
TotalSurfaceArea	311.97
Relative PSA	0.21694
PolarSurfaceArea	78.95
Druglikeness	3.1225
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - (5E)-1-(3-bromophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(3-bromophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

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