HCID53246745

3-(1-{4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl}piperidin-4-yl)-1-([3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl)-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

3-[1-[4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl]piperidin-4-yl]-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4-dione

C44H44N6O7S2833 g/mol

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IDENTITY

结构与身份

标准 SMILES: CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N3CCC(n4c(=O)c5sc(-c6ccccc6)cc5n(Cc5nc(COC)no5)c4=O)CC3)cc1)=N[C@@H]1CCSC[C@H]21
InChIKey: FGACFVKAZUAWPM-CZNDPXEESA-N
分子式: C44H44N6O7S2
平均分子量: 833 g/mol
单同位素质量: 832.27129011

COMPUTED

结构计算性质

已同步

XLogP: 5.9
极性表面积: 193 Å²
氢键供体: 0
氢键受体: 12
可旋转键: 11
重原子: 59
形式电荷: 0
复杂度: 1,520

ALIASES

名称与别名

共 4 条

3-(1-{4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl}piperidin-4-yl)-1-([3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl)-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione3-(1-{4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl}piperidin-4-yl)-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dioneSCHEMBL2039132FGACFVKAZUAWPM-CZNDPXEESA-N

REACTIONS

参与反应

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