HCID66618073

2-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide hydrochloride

2-[9-amino-6-[(3-chloro-4-methoxy-5-methyl-2-pyridinyl)methyl]-11-thia-5,6,7,10-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-2-yl]-N-methylacetamide;hydrochloride

C19H21Cl2N7O2S482.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC(=O)Cc1cc2nn(Cc3ncc(C)c(OC)c3Cl)nc3c-2c1CSN=C3N.Cl
InChIKey: VPFZKNVEYHRBPH-UHFFFAOYSA-N
分子式: C19H21Cl2N7O2S
平均分子量: 482.4 g/mol
单同位素质量: 481.0854495

COMPUTED

结构计算性质

已同步

极性表面积: 146 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 5
重原子: 31
形式电荷: 0
复杂度: 671

ALIASES

名称与别名

共 4 条

SCHEMBL191709VPFZKNVEYHRBPH-UHFFFAOYSA-N2-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide hydrochloride2-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide monohydrochloride

REACTIONS