tert-Butyl 7-[3-oxo-3-(5-cyano-2,3-dihydro-1H-indol-1-yl)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CN(CCC(=O)N3CCc4cc(C#N)ccc43)CC(C1)O2- InChIKey
JWPYJSGMPYUFRK-UHFFFAOYSA-N- Molecular formula
- C23H30N4O4
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.22670545
Names & identifiers
- Preferred name
- tert-Butyl 7-[3-oxo-3-(5-cyano-2,3-dihydro-1H-indol-1-yl)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
- IUPAC
- tert-butyl 7-[3-(5-cyano-2,3-dihydroindol-1-yl)-3-oxopropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Names & synonyms
JWPYJSGMPYUFRK-UHFFFAOYSA-Ntert-Butyl 7-[3-oxo-3-(5-cyano-2,3-dihydro-1H-indol-1-yl)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Database identifiers
- PubChem CID
- 86625992
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 728
Related reactions
3 records
Compound notes
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