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
- Formal charge
- 0
- Complexity
- 830
Related reactions
3 records
Compound notes
Loading…