1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester

HCID 168089CAS 23191-75-5

基本情報

標準SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F
InChIKey
ACZJZGLXRPZSLI-UHFFFAOYSA-N
分子式
C20H22F3NO4
平均分子量
397.4 g/mol
単同位体質量
397.15009284

名称と識別子

優先名称
1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester
IUPAC
diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

名称と別名

1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl esterRefChem:9069742,6-dimethyl-3,5-dicarbethoxy-4-(trifluoromethylphenyl)-1,4-dihydropyridineFtorin23191-75-54-(2-Trifluoromethylphenyl)-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridineSKF 24260SK&F 24260diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateV2DA3S07WI3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, diethyl esterFtorin (pharmaceutical)
名称をさらに表示
3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylatediethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylateBRN 0500244SKF-24260UNII-V2DA3S07WI2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-trifluoromethylphenyl)-1,4-dihydropyridine [French]CHEMBL346128SCHEMBL7431826

データベース識別子

CAS
23191-75-5
PubChem CID
168089
DTXSID
DTXSID00177766
ChEMBL
CHEMBL346128
UNII
V2DA3S07WI
Nikkaji
J23.571G

物性

構造計算による物性

XLogP
4.2
極性表面積
64.6 Ų
水素結合供与体数
1
水素結合受容体数
8
回転可能結合数
7
重原子数
28

関連反応

16 件

関連ノート

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