HRID858055
uspto-grants-2006_12
作为生成物
uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07148229B2
查看条件与参与物HCID10258558
N-(5-{4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenylsulfamoyl}-4-methyl-thiazol-2-yl)-acetamide
N-[5-[[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
C29H28FN7O5S2637.7 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(Cc3nc4c([nH]3)c(=O)n(Cc3ccccc3F)c(=O)n4CC3CC3)cc2)s1
- InChIKey
- DGCUFGGRMCKNRC-UHFFFAOYSA-N
- 分子式
- C29H28FN7O5S2
- 平均分子量
- 637.7 g/mol
- 单同位素质量
- 637.15773753
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 194 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 10
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 1,190
ALIASES
名称与别名
SCHEMBL4615521DGCUFGGRMCKNRC-UHFFFAOYSA-NN-(5-{4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenylsulfamoyl}-4-methyl-thiazol-2-yl)-acetamide
REACTIONS