Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide
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Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide
structure -
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CAS No:
85423-10-5
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Formula:
C18H29N3O3
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Chemical Name:
Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide
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Synonyms:
1H-Azepine-1-carboxamide,hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-;Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide
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CAS No:
Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide Basic Attributes
335.44100
335.44
287-213-4
Computed Properties
Molecular Weight:335.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:335.22089180
Monoisotopic Mass:335.22089180
Topological Polar Surface Area:78.8
Heavy Atom Count:24
Complexity:540
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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