uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07148226B2
查看![7-({6-Cyclopentyl-4-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one 分子结构式](/api/mol/58762525/svg/360x280.svg)
HCID58762525
7-({6-Cyclopentyl-4-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-[[2-cyclopentyl-4-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-6-oxo-3H-pyran-5-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C27H30N2O5S494.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3cc(=O)n4c(C)csc4n3)C(=O)O2)cc1
- InChIKey
- DIEQVHNTOGDLPW-UHFFFAOYSA-N
- 分子式
- C27H30N2O5S
- 平均分子量
- 494.6 g/mol
- 单同位素质量
- 494.18754324
COMPUTED
结构计算性质
- XLogP
- 4.6
- 极性表面积
- 114 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 1,000
ALIASES
名称与别名
SCHEMBL3994118DIEQVHNTOGDLPW-UHFFFAOYSA-N7-({6-Cyclopentyl-4-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
REACTIONS
