(2R,5S)-3,6-Diethoxy-2-isopropyl-5-(2-[3-methoxy-4-(4-phenyl-butoxy)-phenyl]-ethyl)-2,5dihydro-pyrazine
Basic information
- Standard SMILES
CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1CCc1ccc(OCCCCc2ccccc2)c(OC)c1- InChIKey
VFZYTOOJEZDSCB-LBNVMWSVSA-N- Molecular formula
- C30H42N2O4
- Average molar mass
- 494.7 g/mol
Names & identifiers
- Preferred name
- (2R,5S)-3,6-Diethoxy-2-isopropyl-5-(2-[3-methoxy-4-(4-phenyl-butoxy)-phenyl]-ethyl)-2,5dihydro-pyrazine
- IUPAC
- (2S,5R)-3,6-diethoxy-2-[2-[3-methoxy-4-(4-phenylbutoxy)phenyl]ethyl]-5-propan-2-yl-2,5-dihydropyrazine
Names & synonyms
SCHEMBL4820182VFZYTOOJEZDSCB-LBNVMWSVSA-N(2R,5S)-3,6-Diethoxy-2-isopropyl-5-(2-[3-methoxy-4-(4-phenyl-butoxy)-phenyl ]-ethyl)-2,5dihydro-pyrazine(2R,5S)-3,6-Diethoxy-2-isopropyl-5-{2-[3-methoxy-4-(4-phenyl-butoxy)-phenyl ]-ethyl}-2,5-dihydro-pyrazine
Database identifiers
- PubChem CID
- 59655577
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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