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

HCID 22396754
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Basic information

Standard SMILES
CCOC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)OC(C)(C)C)CC2
InChIKey
FDMRONLLVLVFFI-UHFFFAOYSA-N
Molecular formula
C21H28N2O4
Average molar mass
372.5 g/mol
Monoisotopic mass
372.20490738

Names & identifiers

Preferred name
tert-butyl 6-(2-ethoxy-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
IUPAC
tert-butyl 6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Names & synonyms

SCHEMBL6474866FDMRONLLVLVFFI-UHFFFAOYSA-Ntert-butyl 6-(2-ethoxy-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

Database identifiers

PubChem CID
22396754

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
60.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

Related reactions

18 records
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Compound notes

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