1286647-30-0 ((3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde)

结构式：

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehydeMOL文件

CAS号：

1286647-30-0

英文名称：

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde

分子式：

C₂₅H₂₄N₄O₅S

分子量：

492.5469

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde(1286647-30-0)名称与标识符

名称

英文别名：

3-[[6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylmethyl]-4-methoxybenzaldehyde;3-(((6-(benzo[d][1,3]dioxol-5-ylmethyl)-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thio)methyl)-4-methoxybenzaldehyde;3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde;3-({[6-(1,3-benzodioxol-5-ylmethyl)-1-e;

标识符

InChIKey：

XZKZJJPXZXMMRU-UHFFFAOYSA-N

Inchi：

1S/C25H24N4O5S/c1-4-29-23-22(15(2)27-29)26-25(35-13-18-9-17(12-30)6-7-19(18)32-3)28(24(23)31)11-16-5-8-20-21(10-16)34-14-33-20/h5-10,12H,4,11,13-14H2,1-3H3

SMILES：

S(C([H])([H])C1C([H])=C(C([H])=O)C([H])=C([H])C=1OC([H])([H])[H])C1=NC2C(C([H])([H])[H])=NN(C([H])([H])C([H])([H])[H])C=2C(N1C([H])([H])C1C([H])=C([H])C2=C(C=1[H])OC([H])([H])O2)=O

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde(1286647-30-0)物化性质

计算特性

氢键供体数量 : 0
氢键受体数量 : 8
可旋转化学键数量 : 8
重原子数量 : 35
复杂度 : 815
疏水参数计算参考值（XlogP） : 3.4
拓扑分子极性表面积 : 121

81597-51-5(5-溴-4-甲基-2-噻吩磺酰氯) 816-16-0(2-Ethylpentanoic acid methyl ester) 81592-99-6(5-(氨基羰基)-2-甲氧基苯磺酰氯) 81597-52-6(5-Bromo-N-methyl-2-thiophenesulfonamide) 81633-30-9(Ethyl 4-methyl-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate) 81660-73-3(异烟酸叔丁酯) 817209-46-4(辛诺林，4-氯-7-硝基-) 80904-75-2(3-(hydroxymethyl)-2H-furan-5-one)

960化工网为您提供3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.1286647-30-0,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:1286647-30-0 国际站:1286647-30-0

1286647-30-0 ((3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde)

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde(1286647-30-0)名称与标识符

名称

标识符

3-[({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)methyl]-4-methoxybenzaldehyde(1286647-30-0)物化性质

计算特性

目录