データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
1206124-34-6- 標準SMILES
CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21- InChIKey
MOIBBQFSBRXTDL-UHFFFAOYSA-N- 分子式
- C28H30F3NO3
- 平均分子量
- 485.5 g/mol
名称と識別子
- 優先名称
- Ethyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
- IUPAC
- ethyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
名称と別名
1206124-34-6Ethyl 2-(7-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetateEthyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetateEthyl 2-[7-[[4-Cyclopentyl-3-(trifluoromethyl)benzyl]oxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetateEtrasimod impurity 21N-Etrasimod Impurity 22C6QP7B9EXZSCHEMBL1920079CHEMBL5575408SY375565(R/S)-Ethyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate(R/S)-Ethyl 2-(7-(4-Cyclopentyl-3-(trifluromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
名称をさらに表示
Cyclopent[b]indole-3-acetic acid, 7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydro-, ethyl esterEthyl 2-[7-[[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methyl]oxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetateethyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
データベース識別子
- CAS
1206124-34-6- PubChem CID
- 53345674
- ChEMBL
CHEMBL5575408- UNII
- C6QP7B9EXZ
物性
構造計算による物性補完中
- XLogP
- 7.1
- 極性表面積
- 51.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 8
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 725
関連反応
26 件
化合物ノート
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