156774-35-5 ((8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-)

快速询单

结构式：

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-MOL文件

CAS号：

156774-35-5

英文名称：

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-

分子式：

C₂₃H₂₅F₂NO₃

分子量：

401.446313619614

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-(156774-35-5)名称与标识符

名称

英文别名：

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-;8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl e...;2-Carbomethoxy-3-(bis(4-fluorophenyl)methoxy)tropane;Difluoropine;methyl (1S,2S,3S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;O 620;O-620;Q1224566;NA9FDN6R4M;8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-;UNII-NA9FDN6R4M;8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, [1S-(2-exo,3-endo)]-;156774-35-5;CHEMBL1945126;SCHEMBL2487198;

标识符

InChIKey：

XSYGBVSQKPLETJ-ANULTFPQSA-N

Inchi：

1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18-,19+,20+,21+/m1/s1

SMILES：

FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)O[C@H]1C[C@H]2CC[C@@H]([C@@H]1C(=O)OC)N2C

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-(156774-35-5)物化性质

实验特性

PSA : 38.77
折射率 : 1.576
沸点 : 461°Cat760mmHg
闪点 : 232.6°C
密度 : 1.25

计算特性

精确分子量 : 401.18035
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 6
同位素质量 : 401.18
重原子数量 : 29
复杂度 : 538
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.2
拓扑分子极性表面积 : 38.8Å²

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