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

기본 정보

표준 SMILES
CC(O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21
InChIKey
JPYXUNNVYFMVJZ-UHFFFAOYSA-N
분자식
C22H19N3O7S
평균 분자량
469.5 g/mol

이름 및 식별자

우선 이름
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

이름 및 동의어

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

데이터베이스 식별자

PubChem CID
70504145

물성

구조 계산 물성

XLogP
3.8
극성 표면적
160 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
33

관련 반응

38건

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