Basic information
- Standard SMILES
CC(C)(O)CN1CC[C@]2(CCN(c3ccc(-n4ccc5cc(O)ccc5c4=O)cc3)C2)C1- InChIKey
UWFCJZWWYWEPCE-SANMLTNESA-N- Molecular formula
- C26H31N3O3
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-{4-[(S)-7-(2-hydroxy-2-methyl-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-2H-isoquinolin-1-one
- IUPAC
- 6-hydroxy-2-[4-[(5S)-7-(2-hydroxy-2-methylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]phenyl]isoquinolin-1-one
Names & synonyms
SCHEMBL4289441UWFCJZWWYWEPCE-SANMLTNESA-N6-Hydroxy-2-{4-[(S)-7-(2-hydroxy-2-methyl-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 68988862
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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