N-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine

HCID 21896974

基本情報

標準SMILES
COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1Cl
InChIKey
ZYYJJEMIFCPDME-UHFFFAOYSA-N
分子式
C24H36ClN7O
平均分子量
474 g/mol
単同位体質量
473.2669865

名称と識別子

優先名称
N-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine
IUPAC
6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

名称と別名

SCHEMBL4829075ZYYJJEMIFCPDME-UHFFFAOYSA-NN-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methylpiperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxypheyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamine

データベース識別子

PubChem CID
21896974

物性

構造計算による物性

XLogP
6.2
極性表面積
78.4 Ų
水素結合供与体数
2
水素結合受容体数
8
回転可能結合数
7
重原子数
33

関連反応

23 件

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