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
- Formal charge
- 0
- Complexity
- 359
Related reactions
12 records
Linked notes
Loading…