6-[4-[1-[6-(2-Hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylic acid
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Basic information
- Standard SMILES
CC(c1ccc(-c2cccc(C(=O)O)n2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
HVFRGPCQHBZQLR-UHFFFAOYSA-N- Molecular formula
- C28H30N2O5
- Average molar mass
- 474.5 g/mol
Names & identifiers
- Preferred name
- 6-[4-[1-[6-(2-Hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylic acid
- IUPAC
- 6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 76800577
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
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Related reactions
5 records
Compound notes
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