1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(2-methyl-5-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol 1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol

HCID 21082192
ノート反応
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1nc(CCN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)c(-c2ccccc2)o1.Cc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIKey
GHIOUWQHNJRNCH-UHFFFAOYSA-N
分子式
C48H44F12N4O4
平均分子量
968.9 g/mol

名称と識別子

優先名称
1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(2-methyl-5-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol 1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol
IUPAC
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol

名称と別名

SCHEMBL4418111GHIOUWQHNJRNCH-UHFFFAOYSA-N1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(2-methyl-5-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol 1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol

データベース識別子

PubChem CID
21082192

物性

構造計算による物性

極性表面積
99 Ų
水素結合供与体数
2
水素結合受容体数
20
回転可能結合数
10
重原子数
68

関連反応

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