Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看![8-Ethoxy-4-hydroxy-3-(2,4,6-trimethyl-phenyl)-1,8-diaza-spiro[4.5]dec-3-en-2-one 分子结构式](/api/mol/59614581/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCON1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O
- InChIKey
- BQBYCQCRUSSGRQ-UHFFFAOYSA-N
- 分子式
- C19H26N2O3
- 平均分子量
- 330.4 g/mol
- 单同位素质量
- 330.1943427
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 61.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 511
ALIASES
名称与别名
SCHEMBL37090BQBYCQCRUSSGRQ-UHFFFAOYSA-N8-ethoxy-4-hydroxy-3-(2,4,6-trimethyl-phenyl)-1,8-diaza-spiro[4.5]dec-3-en-2-one
REACTIONS
