基本情報
- CAS
172470-00-7- 標準SMILES
CCC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O- InChIKey
VIIAXSMWSIXEKQ-UHFFFAOYSA-N- 分子式
- C17H20N2O2S
- 平均分子量
- 316.4 g/mol
- 単同位体質量
- 316.12454906
名称と識別子
- 優先名称
- Propanamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-
- IUPAC
- N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]propanamide
名称と別名
172470-00-7Propanamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-CHEMBL1269313-Propionamido-5-methyl-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one3-Propionamido-5-methyl-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-onePropanamide, N-[4-[(3,5-dimethylphenyl)thio]-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl]-SCHEMBL7005587DTXSID50169313VIIAXSMWSIXEKQ-UHFFFAOYSA-NBDBM50029671N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]propanamideN-{4-[(3,5-dimethylphenyl)sulfanyl]-5-methyl-2-oxo-1,2-dihydropyridin-3-yl}propanamide
名称をさらに表示
3-(EtCONH)-2-Pyridinone, PhS deriv.5-methyl-3-propionamido-4-(3', 5'-dimethylphenyl)thio-pyridin-2(1H)-oneN-[4-(3,5-Dimethyl-phenylsulfanyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-propionamide
データベース識別子
- CAS
172470-00-7- PubChem CID
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 83.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 515
関連反応
1 件
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