Basic information
- Standard SMILES
CCC(C)N(C)c1cnc(CN(CCO)Cc2ccccc2)c(Cl)n1- InChIKey
XWQDCSKFGNQKFI-UHFFFAOYSA-N- Molecular formula
- C19H27ClN4O
- Average molar mass
- 362.9 g/mol
Names & identifiers
- Preferred name
- 2-[Benzyl({3-chloro-5-[methyl(1-methylpropyl)amino]pyrazin-2-yl}methyl)amino]ethanol
- IUPAC
- 2-[benzyl-[[5-[butan-2-yl(methyl)amino]-3-chloropyrazin-2-yl]methyl]amino]ethanol
Names & synonyms
SCHEMBL1325827XWQDCSKFGNQKFI-UHFFFAOYSA-N2-[benzyl({3-chloro-5-[methyl(1-methylpropyl)amino]pyrazin-2-yl}methyl)amino]ethanol
Database identifiers
- PubChem CID
- 86648993
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Related reactions
10 records
Compound notes
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