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

HCID 59635654
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Basic information

Standard SMILES
CC(=O)C[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1
InChIKey
TVVHEUICYRNLSO-BTYIYWSLSA-N
Molecular formula
C21H21BrFNO3
Average molar mass
434.3 g/mol
Monoisotopic mass
433.06888

Names & identifiers

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

Names & synonyms

SCHEMBL119693TVVHEUICYRNLSO-BTYIYWSLSA-N(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-oxopropyl)-1,3-oxazinan-2-one

Database identifiers

PubChem CID
59635654

Properties

Computed structural properties

XLogP
4
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

15 records
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Compound notes

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