Basic information
- Standard SMILES
CC(=O)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1- InChIKey
MURXXTXLNKUNRR-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.13207679
Names & identifiers
- Preferred name
- 5-(4-Acetoxyphenyl)-2-amino-3-benzylpyrazine
- IUPAC
- [4-(5-amino-6-benzylpyrazin-2-yl)phenyl] acetate
Names & synonyms
SCHEMBL1356348MURXXTXLNKUNRR-UHFFFAOYSA-N5-(4-Acetoxyphenyl)-2-amino-3-benzylpyrazine
Database identifiers
- PubChem CID
- 67003552
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Related reactions
10 records
Compound notes
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