tert-butyl 6-(2-hydroxyethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

HCID 22396751

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

Related reactions

30 records

Compound notes

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