Diethyl 1-aminopyrido[1,2-a]benzimidazole-2,4-dicarboxylate
Basic information
- CAS
71239-46-8- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)c2nc3ccccc3n2c1N- InChIKey
CHFATKZUSLWUIE-UHFFFAOYSA-N- Molecular formula
- C17H17N3O4
- Average molar mass
- 327.33 g/mol
- Monoisotopic mass
- 327.12190603
Names & identifiers
- Preferred name
- Diethyl 1-aminopyrido[1,2-a]benzimidazole-2,4-dicarboxylate
- IUPAC
- diethyl 1-aminopyrido[1,2-a]benzimidazole-2,4-dicarboxylate
Names & synonyms
71239-46-8diethyl 1-aminopyrido[1,2-a]benzimidazole-2,4-dicarboxylateNSC339880DTXSID00319104NSC-339880Diethyl 1-aminopyrido[1,2-a][1,3]benzimidazole-2,4-dicarboxylate
Database identifiers
- CAS
71239-46-8- PubChem CID
- 334492
- DTXSID
DTXSID00319104
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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