ethyl[(1S)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate (HCID 86615644)

基本情報

標準SMILES: CCOC(=O)C[C@@H]1CCCc2c1n([C@@H](C)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIKey: CLYCVPYZVCXPOO-RDJZCZTQSA-N
分子式: C25H27ClFNO4S
平均分子量: 492 g/mol

名称と識別子

優先名称: ethyl[(1S)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate
IUPAC: ethyl 2-[(1S)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetate

名称と別名

CLYCVPYZVCXPOO-RDJZCZTQSA-Nethyl [(1S)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetateethyl[(1S)-9-[(1S)-1-(4-chlorophenyl)-ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetateethyl[(1S)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate

データベース識別子

PubChem CID: 86615644

物性

構造計算による物性

XLogP: 5.2
極性表面積: 73.8 Å²
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: 7
重原子数: 33
形式電荷: 0
複雑度: 797

化合物ノート

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