Basic information
- Standard SMILES
CCOc1cc([N+](=O)[O-])ccc1C(=O)n1cc(-c2ccc(OC)c(OC)c2)c2cccnc21- InChIKey
VTPLULUSHRXXJV-UHFFFAOYSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.1430354
Names & identifiers
- Preferred name
- [3-(3,4-Dimethoxy-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-(2-ethoxy-4-nitro-phenyl)-methanone
- IUPAC
- [3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-(2-ethoxy-4-nitrophenyl)methanone
Names & synonyms
SCHEMBL4337247VTPLULUSHRXXJV-UHFFFAOYSA-N[3-(3,4-Dimethoxy-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-(2-ethoxy-4-nitro-phenyl)-methanone[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-yl]-(2-ethoxy-4-nitro-phenyl)-methanone
Database identifiers
- PubChem CID
- 57891702
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
4 records
Linked notes
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