(1S,4S)-5-(3-benzenesulfonyl-quinolin-8-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

HCID 67313656

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12
InChIKey
WWVCTQQNOSHSPF-OALUTQOASA-N
Molecular formula
C25H27N3O4S
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
(1S,4S)-5-(3-benzenesulfonyl-quinolin-8-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (1S,4S)-5-[3-(benzenesulfonyl)quinolin-8-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Names & synonyms

SCHEMBL2197229WWVCTQQNOSHSPF-OALUTQOASA-N(1S,4S)-5-(3-benzenesulfonyl-quinolin-8-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2- carboxylic acid tert-butyl ester(1S,4S)-5-(3-benzenesulfonyl-quinolin-8-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67313656

Properties

Computed structural properties

XLogP
4
Topological polar surface area
88.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

3 records

Compound notes

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