基本情報
- 標準SMILES
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)OC(=O)N2- InChIKey
FUMWUTSVOOBPCJ-UHFFFAOYSA-N- 分子式
- C16H14N2O2S
- 平均分子量
- 298.4 g/mol
名称と識別子
- 優先名称
- 5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile
- IUPAC
- 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile
名称と別名
SCHEMBL3870568FUMWUTSVOOBPCJ-UHFFFAOYSA-N5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo [d] [1,3]oxazin-6-yl)-4-methyl-thiophene2-carbonitrile5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene2-carbonitrile5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitile5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methylthiophene-2-carbonitrile5-(4. 4-Dimethyl-2-oxo-1. 4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile
データベース識別子
- PubChem CID
- 9814768
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 90.4 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
- 1
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 484
関連反応
18 件
関連ノート
読み込み中…