2-Ethyl-2-{[6-(2-methoxy-ethoxy)-5-morpholin-4-yl-pyrazine-2-carbonyl]-amino}-butyric acid methyl ester
Basic information
- Standard SMILES
CCC(CC)(NC(=O)c1cnc(N2CCOCC2)c(OCCOC)n1)C(=O)OC- InChIKey
VXHJXEDXOIPGHT-UHFFFAOYSA-N- Molecular formula
- C19H30N4O6
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.21653469
Names & identifiers
- Preferred name
- 2-Ethyl-2-{[6-(2-methoxy-ethoxy)-5-morpholin-4-yl-pyrazine-2-carbonyl]-amino}-butyric acid methyl ester
- IUPAC
- methyl 2-ethyl-2-[[6-(2-methoxyethoxy)-5-morpholin-4-ylpyrazine-2-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL3255368VXHJXEDXOIPGHT-UHFFFAOYSA-N2-Ethyl-2-{[6-(2-methoxy-ethoxy)-5-morpholin-4-yl-pyrazine-2-carbonyl]-amino}-butyric acid methyl ester
Database identifiers
- PubChem CID
- 24831740
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
2 records
Compound notes
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