Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(c3ccccc3n2-c2ccccc2)C1- InChIKey
HIWYUPPLQBHRJM-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 5-Phenyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
Names & synonyms
SCHEMBL5107551SCHEMBL31078485HIWYUPPLQBHRJM-UHFFFAOYSA-N5-Phenyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69314045
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
3 records
Compound notes
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