tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-thioxoazepan-3-ylcarbamate

HCID 59734935

Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CNC1=S
InChIKey
PJNPAINTUGJDDS-ZWNOBZJWSA-N
Molecular formula
C17H22F2N2O2S
Average molar mass
356.4 g/mol
Monoisotopic mass
356.13700545

Names & identifiers

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

Names & synonyms

SCHEMBL12219232PJNPAINTUGJDDS-ZWNOBZJWSA-Ntert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-thioxoazepan-3-ylcarbamatetert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-thioxoazepan-3-yl]carbamate

Database identifiers

PubChem CID
59734935

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
82.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

15 records

Linked notes

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