3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile

HCID 59635781

基本情報

標準SMILES
C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O
InChIKey
CXOMXTMPKJRZRV-WRONEBCDSA-N
分子式
C29H30FN3O3
平均分子量
487.6 g/mol
単同位体質量
487.22711999

名称と識別子

優先名称
3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
IUPAC
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-2-oxo-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile

名称と別名

SCHEMBL120297CHEMBL3664699CXOMXTMPKJRZRV-WRONEBCDSA-NBDBM107645US8575157, 163-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo -1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile3-((R)-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile

データベース識別子

PubChem CID
59635781
ChEMBL
CHEMBL3664699

物性

構造計算による物性

XLogP
4.2
極性表面積
73.6 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
6
重原子数
36

関連反応

7 件

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