Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1- InChIKey
XISPSHMHIRZLPJ-CQSZACIVSA-N- Molecular formula
- C19H24ClN3O4S
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.1176051
Names & identifiers
- Preferred name
- (R)-3-[N-(tert-Butoxycarbonyl)-N-methylamino]-1-(4-chloro-5-isoquinolinesulfonyl)pyrrolidine
- IUPAC
- tert-butyl N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL2007487XISPSHMHIRZLPJ-CQSZACIVSA-N(R)-3-[N-(tert-Butoxycarbonyl)-N-methylamino]-1-(4-chloro-5-isoquinolinesulfonyl)pyrrolidine
Database identifiers
- PubChem CID
- 67245481
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 676
Related reactions
3 records
Compound notes
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