Tert-butyl 4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate

HCID 22478562

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCN(c2ccc(Br)nc2)CC1
InChIKey
GHOOPXCUOZTHCA-UHFFFAOYSA-N
Molecular formula
C15H22BrN3O2
Average molar mass
356.26 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate
IUPAC
tert-butyl 4-(6-bromo-3-pyridinyl)-1,4-diazepane-1-carboxylate

Names & synonyms

223797-58-8tert-butyl 4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate1-(6-Bromo-3-pyridyl)-4-tert-butoxycarbonyl homopiperazineSCHEMBL6358835GHOOPXCUOZTHCA-UHFFFAOYSA-NZCD72613DB-311135tert-butyl4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate

Database identifiers

PubChem CID
22478562

Properties

Computed structural properties

XLogP
3
Topological polar surface area
45.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

12 records

Linked notes

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