1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid ethyl ester

HCID 60207963

기본 정보

표준 SMILES
CCOC(=O)c1cc(COCCOCCOC)n(Cc2cc(-c3ccc(Cl)s3)on2)n1
InChIKey
NSIBNGCSPUVDHZ-UHFFFAOYSA-N
분자식
C20H24ClN3O6S
평균 분자량
469.9 g/mol

이름 및 식별자

우선 이름
1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid ethyl ester
IUPAC
ethyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazole-3-carboxylate

이름 및 동의어

SCHEMBL1455582NSIBNGCSPUVDHZ-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-[2-(2-methoxy-ethoxy) -ethoxymethyl]-1H-pyrazole-3-carboxylic acid ethyl ester1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
60207963

물성

구조 계산 물성

XLogP
2.6
극성 표면적
126 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
14
무거운 원자 수
31

관련 반응

6건

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