p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetate

HCID 70504145

基本情報

標準SMILES
CC(O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21
InChIKey
JPYXUNNVYFMVJZ-UHFFFAOYSA-N
分子式
C22H19N3O7S
平均分子量
469.5 g/mol

名称と識別子

優先名称
p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetate
IUPAC
(4-nitrophenyl)methyl 3-hydroxy-2-[7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoate

名称と別名

p-nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-hydroxyethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetateSCHEMBL11055049JPYXUNNVYFMVJZ-UHFFFAOYSA-Np-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo [3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetate

データベース識別子

PubChem CID
70504145

物性

構造計算による物性

XLogP
3.8
極性表面積
160 Ų
水素結合供与体数
1
水素結合受容体数
9
回転可能結合数
8
重原子数
33

関連反応

38 件

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