3-bromopropyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

HCID 3274278

基本情報

標準SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCBr)C1c1cccc([N+](=O)[O-])c1
InChIKey
MCIAPXKGANXQCE-UHFFFAOYSA-N
分子式
C19H21BrN2O6
平均分子量
453.3 g/mol

名称と識別子

優先名称
3-bromopropyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC
5-O-(3-bromopropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

名称と別名

CHEMBL2063636SCHEMBL10429056MCIAPXKGANXQCE-UHFFFAOYSA-NSTL322893AKOS0221133203-bromopropyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateEU-00017802,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-(3-bromopropoxycarbonyl)-1,4-dihydropyridine2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl ester 5-(3-bromopropyl) ester3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate3-(3-BROMOPROPYL) 5-METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE3-methyl 5-(3-bromopropyl) (+)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate
名称をさらに表示
3-methyl 5-(3-bromopropyl) (-)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate

データベース識別子

PubChem CID
3274278
ChEMBL
CHEMBL2063636

物性

構造計算による物性

XLogP
3.6
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

9 件

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