HCID86707808

tert-Butyl[(4aS,5R,7aS)-7a-(5-bromo-2-fluorophenyl)-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]imidodicarbonate

N-[(4aS,5R,7aS)-7a-(5-bromo-2-fluorophenyl)-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C19H21BrFN2O5S-488.3 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H]1OC[C@]2(c3cc(Br)ccc3F)N=C(N(C(=O)[O-])C(=O)OC(C)(C)C)SC[C@H]12
InChIKey: VXJDSOYJWTXFFJ-NMLGDKRHSA-M
分子式: C19H21BrFN2O5S-
平均分子量: 488.3 g/mol
单同位素质量: 487.03386

COMPUTED

结构计算性质

等待补全

XLogP: 4.7
极性表面积: 117 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 4
重原子: 29
形式电荷: -1
复杂度: 697

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 2 条

VXJDSOYJWTXFFJ-NMLGDKRHSA-Mtert-Butyl[(4aS,5R,7aS)-7a-(5-bromo-2-fluorophenyl)-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]imidodicarbonate

REACTIONS