3-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
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3-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
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CAS No:
733004-42-7
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Formula:
C19H16N2O9
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Chemical Name:
3-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
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Synonyms:
MLS000392150;CHEMBL1586664;HMS2538F23;ZINC3311872;AKOS033627348;MCULE-3473970657;SMR000261092;Z18511339;1-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 3-methyl 5-nitrobenzene-1,3-dicarboxylate;733004-42-7
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CAS No:
3-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Basic Attributes
416.3 g/mol
416.08558009 g/mol
Computed Properties
Molecular Weight:416.3
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:416.08558009
Monoisotopic Mass:416.08558009
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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