Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(N3CCN4CCC[C@H]4C3)cc2Cl)C1- InChIKey
DAWUEDNYUOFFRI-ROUUACIJSA-N- Molecular formula
- C22H32ClN3O4S
- Average molar mass
- 470 g/mol
Names & identifiers
- Preferred name
- (S)-3-((S)-2-Chloro-4-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S)-3-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2684744DAWUEDNYUOFFRI-ROUUACIJSA-N(S)-3-((S)-2-Chloro-4-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67496771
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 766
Related reactions
1 records
Compound notes
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