2-Tert-butoxy-2-[4-chroman-6-yl-1-[(2,5-difluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid (HCID 71209274)

基本情報

標準SMILES: Cc1nc2c(ccn2Cc2cc(F)ccc2F)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O
InChIKey: TUYRWHVJXDKHOS-UHFFFAOYSA-N
分子式: C30H30F2N2O4
平均分子量: 520.6 g/mol

名称と識別子

優先名称: 2-Tert-butoxy-2-[4-chroman-6-yl-1-[(2,5-difluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
IUPAC: 2-[1-[(2,5-difluorophenyl)methyl]-4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

名称と別名

SCHEMBL14576953TUYRWHVJXDKHOS-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(2,5-difluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[4-chroman-6-yl-1-[(2,5-difluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid

データベース識別子

PubChem CID: 71209274

物性

構造計算による物性

XLogP: 5.9
極性表面積: 73.6 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 38
形式電荷: 0
複雑度: 825

化合物ノート

読み込み中…