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

Formula:C28H19N2O4Br Mutagenic:low Tumorigenic:high Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(4-bromophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C28H19N2O4Br
Smiles	O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc2cccc3ccccc23)NC1=O
InChI	InChI=1S/C28H19BrN2O4/c29-21-10-12-22(13-11-21)31-27(33)25(26(32)30-28(31)34)16-18-8-14-23(15-9-18)35-17-20-6-3-5-19-4-1-2-7-24(19)20/h1-16H,17H2,(H,30,32,34)
InChIK	KUBOTPBBXLGZNK-UHFFFAOYSA-N
TotalMolweight	527.373
Molweight	527.373
MonoisotopicMass	526.052819
CLogP	5.4231
CLogS	-7.668
H Acceptors	6
H Donors	1
TotalSurfaceArea	355.99
Relative PSA	0.18015
PolarSurfaceArea	75.71
Druglikeness	2.7273
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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1 - (5E)-1-(4-bromophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-bromophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

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