uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08012976B2
查看![8-(4-((4-Ethyl-3-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 分子结构式](/api/mol/136368549/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCN1CCN(Cc2ccc(C3Nc4cccc5c(=O)[nH]nc(c45)C3c3ccccc3)cc2)CC1C
- InChIKey
- ABBFNDUPPGZAAV-UHFFFAOYSA-N
- 分子式
- C30H33N5O
- 平均分子量
- 479.6 g/mol
- 单同位素质量
- 479.26851069
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 60 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 801
ALIASES
名称与别名
SCHEMBL2051028ABBFNDUPPGZAAV-UHFFFAOYSA-N8-(4-((4-Ethyl-3-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
REACTIONS
