p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetate

HCID 54060416

기본 정보

표준 SMILES
CC(=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21)N1CCOCC1
InChIKey
LZHVQHUFGCZXST-UHFFFAOYSA-N
분자식
C26H26N4O7S
평균 분자량
538.6 g/mol
단동위원소 질량
538.15222035

이름 및 식별자

우선 이름
p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetate
IUPAC
(4-nitrophenyl)methyl 3-morpholin-4-yl-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-morpholinoethylidene)acetatep-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)acetateSCHEMBL11051878LZHVQHUFGCZXST-UHFFFAOYSA-Np-Nitrobenzyl alpha-(3phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]-hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetate

데이터베이스 식별자

PubChem CID
54060416

물성

구조 계산 물성

XLogP
3.4
극성 표면적
152 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
9
무거운 원자 수
38

관련 반응

22건

연결된 노트

불러오는 중…