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

Formula:C25H18N3O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(4-bromophenyl)-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H18N3O7Br
Smiles	COc(c(OCc1ccccc1)c1)cc(/C=C(\C(NC(N2c(cc3)ccc3Br)=O)=O)/C2=O)c1[N+]([O-])=O
InChI	InChI=1S/C25H18BrN3O7/c1-35-21-12-16(20(29(33)34)13-22(21)36-14-15-5-3-2-4-6-15)11-19-23(30)27-25(32)28(24(19)31)18-9-7-17(26)8-10-18/h2-13H,14H2,1H3,(H,27,30,32)
InChIK	PTOCBKRDBAUXEN-UHFFFAOYSA-N
TotalMolweight	552.336
Molweight	552.336
MonoisotopicMass	551.032813
CLogP	3.2371
CLogS	-6.54
H Acceptors	10
H Donors	1
TotalSurfaceArea	367.32
Relative PSA	0.28463
PolarSurfaceArea	130.76
Druglikeness	-2.2007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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

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