5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

HCID 9814768

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

関連反応

18 件

関連ノート

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