Basic information
- Standard SMILES
CCOC(=O)c1cccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)n1- InChIKey
VIXDRLFCLNCGJA-UHFFFAOYSA-N- Molecular formula
- C30H34N2O5
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.24677219
Names & identifiers
- Preferred name
- Ethyl 6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylate
- IUPAC
- ethyl 6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylate
Database identifiers
- PubChem CID
- 76800650
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 774
Related reactions
2 records
Compound notes
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