tert-Butyl 8-(4-(4-fluorobenzyloxy)-2-oxopyridin-1(2H)-yl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H) carboxylate

HCID 58093437
ノート反応
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基本情報

標準SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)cc31)CCN(C(=O)OC(C)(C)C)CC2
InChIKey
OKZXAOAWWSLWKK-UHFFFAOYSA-N
分子式
C30H32FN3O4
平均分子量
517.6 g/mol
単同位体質量
517.23768467

名称と識別子

優先名称
tert-Butyl 8-(4-(4-fluorobenzyloxy)-2-oxopyridin-1(2H)-yl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H) carboxylate
IUPAC
tert-butyl 8-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

名称と別名

SCHEMBL1005757OKZXAOAWWSLWKK-UHFFFAOYSA-Ntert-Butyl 8-(4-(4-fluorobenzyloxy)-2-oxopyridin-1(2H)-yl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H) carboxylatetert-butyl 8-(4-(4-fluorobenzyloxy)-2-oxopyridin-1(2H)-yl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)-carboxylatetert-Butyl 8-(4-(4-fluorobenzyloxy)-2-oxopyridin-1(2H)-yl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)carboxylate

データベース識別子

PubChem CID
58093437

物性

構造計算による物性

XLogP
4.5
極性表面積
64 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
38

関連反応

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