4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-3-nitro-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

HCID 58728964

基本情報

標準SMILES
Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N(C)CCO)c([N+](=O)[O-])c2)n1
InChIKey
DYROLTRCASYNIW-UHFFFAOYSA-N
分子式
C31H32N6O6S
平均分子量
616.7 g/mol
単同位体質量
616.21040394

名称と識別子

優先名称
4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-3-nitro-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide
IUPAC
N-[3-[6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-nitroanilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

名称と別名

SCHEMBL1068335DYROLTRCASYNIW-UHFFFAOYSA-N4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-3-nitro-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

データベース識別子

PubChem CID
58728964

物性

構造計算による物性

XLogP
3.5
極性表面積
188 Ų
水素結合供与体数
3
水素結合受容体数
8
回転可能結合数
8
重原子数
44

関連反応

3 件

関連ノート

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