uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08012976B2
查看![9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 分子结构式](/api/mol/136385261/svg/360x280.svg)
HCID136385261
9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
12-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]-11-pyridin-4-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
C30H30N6O3522.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)C(=O)N1CCN(C(=O)c2cccc(C3c4n[nH]c(=O)c5cccc(c45)NC3c3ccncc3)c2)CC1
- InChIKey
- TZXHLGONNRQYGL-UHFFFAOYSA-N
- 分子式
- C30H30N6O3
- 平均分子量
- 522.6 g/mol
- 单同位素质量
- 522.23793884
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 107 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 970
ALIASES
名称与别名
SCHEMBL2315298TZXHLGONNRQYGL-UHFFFAOYSA-N9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
REACTIONS
