tert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamate

HCID 86595038

Basic information

Standard SMILES
CSCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)OC(C)(C)C)C1=O
InChIKey
CYFPOJXAXBWCQQ-CZUORRHYSA-N
Molecular formula
C20H28F2N2O3S
Average molar mass
414.5 g/mol

Names & identifiers

Preferred name
tert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamate
IUPAC
tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)-2-oxoazepan-3-yl]carbamate

Names & synonyms

CYFPOJXAXBWCQQ-CZUORRHYSA-Ntert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamatetert-butyl(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamate

Database identifiers

PubChem CID
86595038

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
83.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

Related reactions

28 records

Linked notes

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