tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate

HCID 86595043

Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O
InChIKey
OOHNEAVZOXZYOP-DNVCBOLYSA-N
Molecular formula
C23H27F2N3O3
Average molar mass
431.5 g/mol

Names & identifiers

Preferred name
tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate
IUPAC
tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]carbamate

Names & synonyms

OOHNEAVZOXZYOP-DNVCBOLYSA-Ntert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamatetert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate

Database identifiers

PubChem CID
86595043

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
71.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

16 records

Linked notes

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