[3-(3,4-Dimethoxy-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-(2-ethoxy-4-nitro-phenyl)-methanone

HCID 57891702

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

Related reactions

4 records

Linked notes

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