tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate

HCID 23657400

Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CNC1=O
InChIKey
WCOPAMRQAVLNBD-ZWNOBZJWSA-N
Molecular formula
C17H22F2N2O3
Average molar mass
340.36 g/mol

Names & identifiers

Preferred name
tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate
IUPAC
tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate

Names & synonyms

tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate781650-32-6TERT-BUTYL N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXOAZEPAN-3-YL]CARBAMATESCHEMBL12811974WCOPAMRQAVLNBD-ZWNOBZJWSA-Ntert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamatetert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamate

Database identifiers

PubChem CID
23657400
Nikkaji
J2.625.438H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

54 records

Linked notes

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