tert-butyl 8-bromo-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate

HCID 66874591
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCc2[nH]c3cc(Br)ccc3c2C1
InChIKey
VZRDMHIPKHTPBV-UHFFFAOYSA-N
Molecular formula
C17H21BrN2O2
Average molar mass
365.3 g/mol

Names & identifiers

Preferred name
tert-butyl 8-bromo-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
IUPAC
tert-butyl 8-bromo-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylate

Names & synonyms

1260494-16-3tert-butyl 8-bromo-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylatetert-butyl 8-broMo-4,5-dihydroazepino[4,3-b]indole-2(1H,3H,6H)-carboxylateAzepino[4,3-b]indole-2(1H)-carboxylic acid, 8-bromo-3,4,5,6-tetrahydro-, 1,1-dimethylethyl estertert-butyl 8-bromo-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylateVZRDMHIPKHTPBV-UHFFFAOYSA-NSCHEMBL1006826MFCD27952041AKOS026674245Y11421F796806tert-butyl8-bromo-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate

Database identifiers

PubChem CID
66874591

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
45.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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