Basic information
- Standard SMILES
CCOC1=N[C@H](C2CCCCC(=O)C2)C(OCC)=N[C@H]1C(C)C- InChIKey
XLANPKMJXQIUQU-PXWJKWRZSA-N- Molecular formula
- C18H30N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.22564282
Names & identifiers
- Preferred name
- 3-((2R,5S)-3,6-Diethoxy-5-isopropyl-2,5-dihydro-pyrazin-2-yl)-cycloheptanone
- IUPAC
- 3-[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]cycloheptan-1-one
Names & synonyms
SCHEMBL1770701XLANPKMJXQIUQU-PXWJKWRZSA-N3-((2R,5S)-3,6-Diethoxy-5-isopropyl-2,5-dihydro-pyrazin-2-yl)-cycloheptanone
Database identifiers
- PubChem CID
- 67155288
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
1 records
Compound notes
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