(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-(1,1-dioxo-isothiazolidin-2-yl)ethyl)-6-phenyl-1,3-oxazinan-2-one

HCID 59635736
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Basic information

Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCN2CCCS2(=O)=O)(c2ccccc2)OC1=O
InChIKey
PWZIMPZDLZDYGR-FDDCHVKYSA-N
Molecular formula
C23H27BrN2O4S
Average molar mass
507.4 g/mol

Names & identifiers

Preferred name
(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-(1,1-dioxo-isothiazolidin-2-yl)ethyl)-6-phenyl-1,3-oxazinan-2-one
IUPAC
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-phenyl-1,3-oxazinan-2-one

Names & synonyms

SCHEMBL118355PWZIMPZDLZDYGR-FDDCHVKYSA-N(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-(1,1-dioxo-isothiazolidin-2-yl)ethyl)-6-phenyl-1,3-oxazinan-2-one

Database identifiers

PubChem CID
59635736

Properties

Computed structural properties

XLogP
4
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
31

Related reactions

11 records
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Compound notes

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