HCID57904801

Ethyl 10-(((benzyloxy)carbonyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

ethyl 5-hydroxy-6-oxo-1-(phenylmethoxycarbonylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylate

C22H25N3O6427.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)OCc2ccccc2)CC1
InChIKey: RFDFHHDCRHWKJG-UHFFFAOYSA-N
分子式: C22H25N3O6
平均分子量: 427.4 g/mol
单同位素质量: 427.17433553

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 118 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 806

ALIASES

名称与别名

共 3 条

SCHEMBL52246RFDFHHDCRHWKJG-UHFFFAOYSA-NEthyl 10-(((benzyloxy)carbonyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

REACTIONS

参与反应

6 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID80687

uspto-grants-2014_09

作为反应物

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846659B2

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HRID113485

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID307016

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID1093077

uspto-grants-2012_03

作为反应物

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129398B2

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HRID1093122

uspto-grants-2012_03

作为反应物

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129398B2

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HRID1093127

uspto-grants-2012_03

作为反应物

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129398B2

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