基本情報
- CAS
139548-01-9- 標準SMILES
CCc1cc(CCc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C- InChIKey
AFXWBBROMDHMPD-UHFFFAOYSA-N- 分子式
- C19H26N2O2
- 平均分子量
- 314.4 g/mol
- 単同位体質量
- 314.19942808
名称と識別子
- 優先名称
- 2(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-
- IUPAC
- 5-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-6-methyl-1H-pyridin-2-one
名称と別名
139548-01-92(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-3-(2-(5-Ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 5-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-6-methyl-3-[2-(5-Ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-oneCHEMBL82856SCHEMBL9846206DTXSID001610845-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl]-6-methyl-1H-pyridin-2-one5-Ethyl-3-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-6-methylpyridin-2(1H)-one
データベース識別子
- CAS
139548-01-9- PubChem CID
- 454342
- DTXSID
DTXSID00161084- ChEMBL
CHEMBL82856
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 51.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 496
関連反応
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