HRID1181694
uspto-grants-2007_10
作为产物
uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2
查看HCID58980931
methyl 5-[7-isobutyl-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylate
methyl 1-methyl-5-[5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxylate
C28H29N5O4499.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2cccc3ccccc23)n(C)c1
- InChIKey
- BTHDHRYPILJKNE-UHFFFAOYSA-N
- 分子式
- C28H29N5O4
- 平均分子量
- 499.6 g/mol
- 单同位素质量
- 499.22195442
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 89.7 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 883
ALIASES
名称与别名
SCHEMBL5409648BTHDHRYPILJKNE-UHFFFAOYSA-Nmethyl 5-[7-isobutyl-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylate
REACTIONS