[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

HCID 69548286

基本情報

標準SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CN(C2CC2)C3)cc1F
InChIKey
JJZJSGUKRPHAIB-UHFFFAOYSA-N
分子式
C26H28FNO2
平均分子量
405.5 g/mol

名称と識別子

優先名称
[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester
IUPAC
ethyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-fluorophenyl]acetate

名称と別名

SCHEMBL5735894JJZJSGUKRPHAIB-UHFFFAOYSA-N[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl) -2-fluoro-phenyl]-acetic Acid Ethyl Ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

データベース識別子

PubChem CID
69548286

物性

構造計算による物性

XLogP
5.5
極性表面積
29.5 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
7
重原子数
30

関連反応

27 件

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