Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

HCID 3064723

基本情報

CAS
105435-14-1
標準SMILES
CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
BQZUKPLXYKHMHX-UHFFFAOYSA-N
分子式
C19H21ClN2O6
平均分子量
408.8 g/mol
単同位体質量
408.10881407

名称と識別子

優先名称
Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC
diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

名称と別名

105435-14-1DTXSID90909533diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1083479DTXCID2013385952-Chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine3,5-Pyridinecarboxylic acid, 1,4-dihydro-2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-, diethyl esterSCHEMBL6590571BQZUKPLXYKHMHX-UHFFFAOYSA-N2-chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl) -6-methyl-1,4-dihydropyridine2-chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-chlorometyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

データベース識別子

CAS
105435-14-1
PubChem CID
3064723
DTXSID
DTXSID90909533
ChEMBL
CHEMBL1094406

物性

構造計算による物性

XLogP
3.3
極性表面積
110 Ų
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
8
重原子数
28

関連反応

10 件

化合物ノート

読み込み中…