Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(c2ccc(-n3ccc4cc(OC[C@H]5CCCO5)ccc4c3=O)cc2F)C1- InChIKey
SCXLITXZJLRTRB-GWQXNCQPSA-N- Molecular formula
- C29H34FN3O5
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.24824936
Names & identifiers
- Preferred name
- [1-(2-Fluoro-4-{1-oxo-6-[(R)-1-(tetrahydrofuran-2-yl)methoxy]-1H-isoquinolin-2-yl}-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-[2-fluoro-4-[1-oxo-6-[[(2R)-oxolan-2-yl]methoxy]isoquinolin-2-yl]phenyl]pyrrolidin-3-yl]carbamate
Names & synonyms
SCHEMBL4301218SCXLITXZJLRTRB-GWQXNCQPSA-N[1-(2-Fluoro-4-{1-oxo-6-[(R)-1-(tetrahydrofuran-2-yl)methoxy]-1H-isoquinolin-2-yl}-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68993565
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 879
Related reactions
1 records
Compound notes
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