Basic information
- Standard SMILES
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(Cl)cc32)[C@@H](CN=[N+]=[N-])CN1C(=O)OC(C)(C)C- InChIKey
CFTZVKGEUICTAU-WBVHZDCISA-N- Molecular formula
- C23H33ClN6O3
- Average molar mass
- 477 g/mol
Names & identifiers
- Preferred name
- (2R,5R)-5-Azidomethyl-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R,5R)-5-(azidomethyl)-4-[2-(6-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL15812204CFTZVKGEUICTAU-WBVHZDCISA-N(2R,5R)-5-Azidomethyl-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86723926
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 794
Related reactions
2 records
Compound notes
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