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Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O- InChIKey
BUIPWQYAVGFZFQ-CCLHPLFOSA-N- Molecular formula
- C27H30N2O4
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- (R)-6-(3-hydroxypropyl)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6R)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116631CHEMBL3664710BUIPWQYAVGFZFQ-CCLHPLFOSA-NBDBM107656US8575157, 30(R)-6-(3-hydroxypropyl)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635752
- ChEMBL
CHEMBL3664710
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 764
Related reactions
14 records
Compound notes
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