(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

HCID 59635628

Basic information

Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)O)(c2ccc(F)cc2)OC1=O
InChIKey
PCUYRJPAAXXRSG-NYHFZMIOSA-N
Molecular formula
C22H25BrFNO3
Average molar mass
450.3 g/mol

Names & identifiers

Preferred name
(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
IUPAC
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

Names & synonyms

SCHEMBL116687CHEMBL3645526PCUYRJPAAXXRSG-NYHFZMIOSA-NUS8592410, Comparator 13BDBM107487US8598163, 71US8575157, 201(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl) -6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

Database identifiers

PubChem CID
59635628
ChEMBL
CHEMBL3645526

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

Related reactions

17 records

Compound notes

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