Basic information
- CAS
7509-57-1- Standard SMILES
CCCCNC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)nc1N- InChIKey
PQDHQTOFDPXUQI-UHFFFAOYSA-N- Molecular formula
- C21H22N4O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17936134
Names & identifiers
- Preferred name
- 3-amino-N-butyl-5,6-diphenylpyrazine-2-carboxamide
- IUPAC
- 3-amino-N-butyl-5,6-diphenylpyrazine-2-carboxamide
Names & synonyms
3-amino-N-butyl-5,6-diphenylpyrazine-2-carboxamideNSC4081347509-57-1DTXSID50324985NSC-4081343-amino-N-butyl-5,6-diphenyl-pyrazine-2-carboxamide
Database identifiers
- CAS
7509-57-1- PubChem CID
- 348686
- DTXSID
DTXSID50324985
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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