(2S,5R)-2-((S)-2-(benzyloxymethyl)-3-methylbutyl)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazine
Basic information
- Standard SMILES
CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[C@H](COCc1ccccc1)C(C)C- InChIKey
HNSZFBRRRPFITK-BHIFYINESA-N- Molecular formula
- C24H38N2O3
- Average molar mass
- 402.6 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-2-((S)-2-(benzyloxymethyl)-3-methylbutyl)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazine
- IUPAC
- (2S,5R)-3,6-diethoxy-2-[(2S)-3-methyl-2-(phenylmethoxymethyl)butyl]-5-propan-2-yl-2,5-dihydropyrazine
Names & synonyms
SCHEMBL3781590HNSZFBRRRPFITK-BHIFYINESA-N(2S,5R)-2-((S)-2-(benzyloxymethyl)-3-methylbutyl)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazine
Database identifiers
- PubChem CID
- 68784201
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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