HCID57415376

(4aS,5R,7aS)-5-Methyl-7a-(2',4,5'-trifluoro-[1,1'-biphenyl]-3-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine

(4aS,5R,7aS)-7a-[5-(2,5-difluorophenyl)-2-fluorophenyl]-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

C19H17F3N2OS378.4 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H]1OC[C@]2(c3cc(-c4cc(F)ccc4F)ccc3F)N=C(N)SC[C@H]12
InChIKey: MZXIMHGPQDMMCO-CYKIYJRWSA-N
分子式: C19H17F3N2OS
平均分子量: 378.4 g/mol
单同位素质量: 378.10136883

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 72.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 26
形式电荷: 0
复杂度: 565

ALIASES

名称与别名

共 3 条

SCHEMBL12500616MZXIMHGPQDMMCO-CYKIYJRWSA-N(4aS,5R,7aS)-5-Methyl-7a-(2',4,5'-trifluoro-[1,1'-biphenyl]-3-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine

REACTIONS