Agn-PC-0keszy
Basic information
- CAS
5329-18-0- Standard SMILES
CCCCCC(CC)n1c(N)c(C(=O)OCC)c2nc3ccccc3nc21- InChIKey
VVONWVJPNCWGBA-UHFFFAOYSA-N- Molecular formula
- C21H28N4O2
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.22122615
Names & identifiers
- Preferred name
- Agn-PC-0keszy
- IUPAC
- ethyl 2-amino-1-octan-3-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
Names & synonyms
5329-18-0AGN-PC-0KESZYDTXSID40411459Ethyl 2-amino-1-(octan-3-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Database identifiers
- CAS
5329-18-0- PubChem CID
- 5226360
- DTXSID
DTXSID40411459
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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