Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2C(C1)c1cc(Br)cc3c1N2CCC3- InChIKey
UFUVYSDLAOQDEV-UHFFFAOYSA-N- Molecular formula
- C19H25BrN2O2
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 7-bromo-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate
- IUPAC
- tert-butyl 7-bromo-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate
Database identifiers
- PubChem CID
- 10046076
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
4 records
Compound notes
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