2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

HCID 10439482

基本情報

標準SMILES: CCOC(=O)C1=C(COCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: KOHMLUDLOFJRBM-UHFFFAOYSA-N
分子式: C32H34Cl2N4O8
平均分子量: 673.5 g/mol
単同位体質量: 672.1753694

名称と識別子

優先名称: 2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
IUPAC: 3-O-ethyl 5-O-methyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

名称と別名

SCHEMBL5481234KOHMLUDLOFJRBM-UHFFFAOYSA-N2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

データベース識別子

PubChem CID: 10439482

物性

構造計算による物性

XLogP: 4.6
極性表面積: 154 Å²
水素結合供与体数: 3
水素結合受容体数: 10
回転可能結合数: 15
重原子数: 46
形式電荷: 0
複雑度: 1,240