Basic information
- Standard SMILES
CCCCOC(=O)C(C)(C)C#Cc1ccc([C@H](C)N2CC[C@](CC(C)(C)O)(c3ccccc3)OC2=O)cc1- InChIKey
KPUJVGBQWODCPX-BNHRFMORSA-N- Molecular formula
- C32H41NO5
- Average molar mass
- 519.7 g/mol
Names & identifiers
- Preferred name
- butyl 4-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)-2,2-dimethylbut-3-ynoate
- IUPAC
- butyl 4-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-2,2-dimethylbut-3-ynoate
Names & synonyms
SCHEMBL991515KPUJVGBQWODCPX-BNHRFMORSA-Nbutyl 4-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)-2,2-dimethylbut-3-ynoate
Database identifiers
- PubChem CID
- 66869601
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 869
Related reactions
2 records
Compound notes
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