uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05424308
查看![N-[1,4-Dihydro-1-phenyl-3-(2-phenylcarbamoyl-cyanoacetyl)-indeno[1,2-c]pyrazol-7-yl]carbonyl-glycine methyl ester 分子结构式](/api/mol/19932613/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)CNC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)C2
- InChIKey
- RDFHQOBPIHODAW-UHFFFAOYSA-N
- 分子式
- C30H23N5O5
- 平均分子量
- 533.5 g/mol
- 单同位素质量
- 533.16991885
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 143 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 1,010
ALIASES
名称与别名
SCHEMBL9172473RDFHQOBPIHODAW-UHFFFAOYSA-NN-[1,4-dihydro-1-phenyl-3-(2-phenylcarbamoyl-cyano-acetyl)indeno[1,2-c]pyrazol-7-yl] carbonyl-glycine methyl esterN-[1,4-Dihydro-1-phenyl-3-(2-phenylcarbamoyl-cyanoacetyl) -indeno[1,2-c]pyrazol-7-yl]carbonyl-glycine methyl ester
REACTIONS
