Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H](CSc2cn(CC3(CO[Si](C)(C)C(C)(C)C)CC3)c(=O)c3ccc(Br)cc23)C1- InChIKey
AVCRMIHLIZSGKT-QFIPXVFZSA-N- Molecular formula
- C31H47BrN2O4SSi
- Average molar mass
- 651.8 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3S)-3-{[(6-bromo-2-{[1-({[tert-butyl(dimethyl)silyl]oxy}methyl)-cyclopropyl]methyl}-1-oxo-1,2-dihydroisoquinolin-4-yl)sulfanyl]methyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-[[6-bromo-2-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-1-oxoisoquinolin-4-yl]sulfanylmethyl]piperidine-1-carboxylate
Names & synonyms
AVCRMIHLIZSGKT-QFIPXVFZSA-Ntert-Butyl (3S)-3-{[(6-bromo-2-{[1-({[tert-butyl(dimethyl)silyl]oxy}methyl)-cyclopropyl]methyl}-1-oxo-1,2-dihydroisoquinolin-4-yl)sulfanyl]methyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86640975
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 971
Related reactions
2 records
Compound notes
Loading…