p-Nitrobenzyl alpha-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-hydroxyethylidene)acetate

HCID 70503680

기본 정보

표준 SMILES
CC(O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(Cc3ccccc3)SC21
InChIKey
FGHXEURYIMMPAS-UHFFFAOYSA-N
분자식
C22H19N3O6S
평균 분자량
453.5 g/mol
단동위원소 질량
453.09945651

이름 및 식별자

우선 이름
p-Nitrobenzyl alpha-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-hydroxyethylidene)acetate
IUPAC
(4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-hydroxybut-2-enoate

이름 및 동의어

p-nitrobenzyl alpha-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-hydroxyethylidene)acetatep-nitrobenzyl alpha-[3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetateSCHEMBL11052454FGHXEURYIMMPAS-UHFFFAOYSA-NEX-A66394-Thia-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, |A-(1-hydroxyethylidene)-7-oxo-3-(phenylmethyl)-, (4-nitrophenyl)methyl ester64893-72-7p-nitrobenzyl alpha-[3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[ 3,2,0]hept-2-en-6-yl]-alpha-(1-hydroxyethylidene)acetate

데이터베이스 식별자

PubChem CID
70503680

물성

구조 계산 물성

XLogP
3.7
극성 표면적
150 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
32

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6건

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