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2D Structure
Also known as: 1449029-77-9, Cqskejhmxptblt-uhfffaoysa-n, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-methyl}-1h-benzimidazole-7-carboxylate
Molecular Formula
C29H26N4O7
Molecular Weight
542.5  g/mol
InChI Key
CQSKEJHMXPTBLT-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(N'-hydroxycarbamimidoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C29H26N4O7/c1-3-37-28-31-23-10-6-9-22(27(34)38-16-24-17(2)39-29(35)40-24)25(23)33(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26(30)32-36/h4-14,36H,3,15-16H2,1-2H3,(H2,30,32)
2.1.3 InChI Key
CQSKEJHMXPTBLT-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1449029-77-9

2. Cqskejhmxptblt-uhfffaoysa-n

3. (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-methyl}-1h-benzimidazole-7-carboxylate

2.3 Create Date
2014-09-27
3 Chemical and Physical Properties
Molecular Weight 542.5 g/mol
Molecular Formula C29H26N4O7
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area147
Heavy Atom Count40
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1