3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-furyl)-, diethyl ester
基本情報
- CAS
55315-49-6- 標準SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])o1- InChIKey
VTLVRMDPKYYQLS-UHFFFAOYSA-N- 分子式
- C17H20N2O7
- 平均分子量
- 364.3 g/mol
- 単同位体質量
- 364.12705098
名称と識別子
- 優先名称
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-furyl)-, diethyl ester
- IUPAC
- diethyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
- 英語名
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-f uryl)-, diethyl ester
- 分子式
- C17H20N2O7
- 分子量
- 364.35
名称と別名
55315-49-63,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-furyl)-, diethyl esterDTXSID90203881RefChem:1066028DTXCID20126372diethyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-f uryl)-, diethyl esterBRN 0582223diethyl 4-{5-nitro-2-furyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate2,6-Dimethyl-4-(5-nitro-2-furyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid diethyl esterCHEMBL1096200SCHEMBL11430432
名称をさらに表示
diethyl 4-{5-nitro-2-furyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridi3,5-diethyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-nitro-2-furanyl)-, 3,5-diethyl ester
1,4-Dihydro-2,6-dimethyl-4-(5-nitro-2-furyl)-3,5-pyridinedicarboxylic acid diethyl esterDB-250075AC-907/34113045AE-641/30076035diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
データベース識別子
- CAS
55315-49-6- PubChem CID
- 1049211
- DTXSID
DTXSID90203881- ChEMBL
CHEMBL1096200- Nikkaji
- J85.649E
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 124 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 623
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