Basic information
- Standard SMILES
Cc1nc2c(cc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21- InChIKey
ZIXXZVFIVGYYPX-ZWNOBZJWSA-N- Molecular formula
- C17H24BrN3O2
- Average molar mass
- 382.3 g/mol
Names & identifiers
- Preferred name
- (4R,9aR)-7-Bromo-4,6-dimethyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (9R,13R)-5-bromo-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene-11-carboxylate
Names & synonyms
SCHEMBL5219131ZIXXZVFIVGYYPX-ZWNOBZJWSA-N(4R,9aR)-7-Bromo-4,6-dimethyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69357585
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
5 records
Compound notes
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