tert-butyl [2-(6-{3-[(2-chloropyridin-4-yl)methyl]-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]cyclopentylcarbamate

HCID 57626019

基本情報

標準SMILES: CC(C)(C)OC(=O)N(CC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(Cl)c4)C(C)(C)C3=O)cc21)C1CCCC1
InChIKey: QIVWTGJJENFHJV-UHFFFAOYSA-N
分子式: C33H42ClN5O5
平均分子量: 624.2 g/mol

名称と識別子

優先名称: tert-butyl [2-(6-{3-[(2-chloropyridin-4-yl)methyl]-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]cyclopentylcarbamate
IUPAC: tert-butyl N-[2-[6-[3-[(2-chloro-4-pyridinyl)methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-N-cyclopentylcarbamate

名称と別名

SCHEMBL1876995QIVWTGJJENFHJV-UHFFFAOYSA-Ntert-butyl [2-(6-{3-[(2-chloropyridin-4-yl)methyl]-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]cyclopentylcarbamatetert-butyl [2-(6-{3-[(2-chloropyridin-4-yl)methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]cyclopentylcarbamate

データベース識別子

PubChem CID: 57626019

物性

構造計算による物性

XLogP: 5.3
極性表面積: 103 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 44
形式電荷: 0
複雑度: 1,130