基本情報
- CAS
258336-05-9- 標準SMILES
Cc1cc(CCCOc2c(C)cc(-n3nnc(C)n3)cc2C)on1- InChIKey
DRCNRTRGWUYJBH-UHFFFAOYSA-N- 分子式
- C17H21N5O2
- 平均分子量
- 327.4 g/mol
- 単同位体質量
- 327.16952493
名称と識別子
- 優先名称
- 2-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-2H-tetrazole
- IUPAC
- 5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
名称と別名
A5HE3QC9H52,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL258336-05-92,6-Dimethyl-1-(3-(3-methyl-5-isoxazolyl)-propanyl)-4-(4-methyl-2H-tetrazol-2-yl)-phenol2-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-2H-tetrazole2H-Tetrazole, 2-(3,5-dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-5-(3-(2,6-Dimethyl-4-(5-methyl-1,2,3,4-tetrazol-2-yl)phenoxy)propyl)-3-methyl-1,2-oxazole2-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-methyl-2h-1,2,3,4-tetrazole2-(3,5-dimethyl-4-(3-(3-methyl-1,2-oxazol-5-yl)propoxy)phenyl)-5-methyl-2H-1,2,3,4-tetrazoleRefChem:454761UNII-A5HE3QC9H52-{3,5-Dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole
名称をさらに表示
WIN68934WIN 68934DB087145-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazolePD004187W02NS00070266Q27097900
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 387
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
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