uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06809199B2
查看![Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate 分子结构式](/api/mol/10233169/svg/360x280.svg)
HCID10233169
Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate
tert-butyl 4-[[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-3,4-dihydroquinazolin-7-yl]methyl]-1-propan-2-ylpiperazine-2-carboxylate
C33H37Cl3N4O3644 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)N1CCN(Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1C(=O)OC(C)(C)C
- InChIKey
- SKBYRZUCWXEANR-UHFFFAOYSA-N
- 分子式
- C33H37Cl3N4O3
- 平均分子量
- 644 g/mol
- 单同位素质量
- 642.193124
COMPUTED
结构计算性质
- XLogP
- 7.1
- 极性表面积
- 65.1 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 970
ALIASES
名称与别名
SCHEMBL6669532SKBYRZUCWXEANR-UHFFFAOYSA-Ntert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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