uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822453B2
查看![N-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-(2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl) carbamic acid tert-butyl ester 分子结构式](/api/mol/70656753/svg/360x280.svg)
HCID70656753
N-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-(2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl) carbamic acid tert-butyl ester
tert-butyl N-[(1-ethyl-3,3,5-trimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)methyl]-N-[(2-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
C27H36N4O5496.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CN(Cc3ccc(=O)[nH]c3C)C(=O)OC(C)(C)C)ccc21
- InChIKey
- XOOPDYXJAAIOFM-UHFFFAOYSA-N
- 分子式
- C27H36N4O5
- 平均分子量
- 496.6 g/mol
- 单同位素质量
- 496.26857026
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 99.3 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 977
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL12080618XOOPDYXJAAIOFM-UHFFFAOYSA-NN-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2, 3, 4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-(2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl) carbamic acid tert-butyl esterN-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-(2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl) carbamic acid tert-butyl esterN-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-(2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl)carbamic acid tert-butyl ester
REACTIONS
参与反应
uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09212187B2
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