基本情報
- CAS
172469-78-2- 標準SMILES
CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1- InChIKey
HRXHKHXJYOIYON-UHFFFAOYSA-N- 分子式
- C16H18N2O3S
- 平均分子量
- 318.4 g/mol
- 単同位体質量
- 318.10381361
名称と識別子
- 優先名称
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-3-nitro-
- IUPAC
- 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one
名称と別名
Curie pyridinone172469-78-22(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-3-nitro-CHEMBL4161074-(3,5-Dimethylphenylthio)-5-ethyl-6-methyl-3-nitropyridin-2(1H)-one2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-ethyl-6-methyl-3-nitro-5-ethyl-6-methSCHEMBL7009670BDBM10903DTXSID901692914-PhS-3-NO2-2-Pyridine deriv.BDBM50029665
名称をさらに表示
4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one5-ethyl-6-methyl-3-nitro-4-[(3,5-dimethylphenyl)thio]pyridin-2(1H)-one4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-3-nitro-1,2-dihydropyridin-2-one4-(3,5-Dimethylphenylthio)-5-ethyl-6-methyl-3-nitropyridin-2-ol4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-3-nitro-pyridin-2-ol4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-pyridin-2-ol4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one4-[(3,5-Dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-3-nitropyridin-2(1H)-one
データベース識別子
- CAS
172469-78-2- PubChem CID
- 464576
- DTXSID
DTXSID90169291- ChEMBL
CHEMBL416107- Nikkaji
- J713.229H
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 100 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 538
関連反応
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