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Basic information
- Standard SMILES
CCO[C@H]1CNC[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC- InChIKey
GRDMGDUBOKJCDV-MOPGFXCFSA-N- Molecular formula
- C21H29ClN4O2
- Average molar mass
- 404.9 g/mol
Names & identifiers
- Preferred name
- 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxypyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
- IUPAC
- 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxypyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
Names & synonyms
SCHEMBL5392607GRDMGDUBOKJCDV-MOPGFXCFSA-N5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxypyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
Database identifiers
- PubChem CID
- 10237751
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 472
Related reactions
10 records
Compound notes
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