Basic information
- Standard SMILES
CCOc1cc(C(=O)O)c2nc(NC(=O)c3cc4cc(OC)c(OC)cc4cn3)[nH]c2c1- InChIKey
DTCAEPXMGOBGFA-UHFFFAOYSA-N- Molecular formula
- C22H20N4O6
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.13828437
Names & identifiers
- Preferred name
- 2-[(6,7-dimethoxy-isoquinoline-3-carbonyl)-amino]-6-ethoxy-1H-benzoimidazole-4-carboxylic acid
- IUPAC
- 2-[(6,7-dimethoxyisoquinoline-3-carbonyl)amino]-6-ethoxy-1H-benzimidazole-4-carboxylic acid
Names & synonyms
SCHEMBL1203283DTCAEPXMGOBGFA-UHFFFAOYSA-N2-[(6,7-dimethoxy-isoquinoline-3-carbonyl)-amino]-6-ethoxy-1H-benzoimidazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 66940830
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 681
Related reactions
4 records
Compound notes
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