Basic information
- Standard SMILES
CCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1- InChIKey
PXUQTFOTRODZNF-UHFFFAOYSA-N- Molecular formula
- C21H21N3O
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)-1-cyclobutyl-6-ethoxy-indole-3-carbonitrile
- IUPAC
- 2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile
Names & synonyms
SCHEMBL982506PXUQTFOTRODZNF-UHFFFAOYSA-N2-(4-aminophenyl)-1-cyclobutyl-6-ethoxy-indole-3-carbonitrile2-(4-aminophenyl)-1-cyclobutyl-6-ethoxy-1H-indole-3-carbonitrile
Database identifiers
- PubChem CID
- 25052011
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
13 records
Compound notes
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