Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(n(CCO)c3ccccc23)CC1- InChIKey
YLFWNTUPOXOUSX-UHFFFAOYSA-N- Molecular formula
- C19H26N2O3
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 6-(2-hydroxyethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
- IUPAC
- tert-butyl 6-(2-hydroxyethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate
Names & synonyms
SCHEMBL6475292YLFWNTUPOXOUSX-UHFFFAOYSA-Ntert-butyl 6-(2-hydroxyethyl)-1,4,5,6-tetrahydroazepino [4,5-b]indole-3(2h)-carboxylatetert-butyl 6-(2-hydroxyethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
Database identifiers
- PubChem CID
- 22396751
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
30 records
Compound notes
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