기본 정보
- CAS
1285535-96-7- 표준 SMILES
CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)n[nH]2)c1- InChIKey
QFFPCRCAEMHHFO-CIAFOILYSA-N- 분자식
- C19H17BrN4O2
- 평균 분자량
- 413.3 g/mol
이름 및 식별자
- 우선 이름
- (E)-N'-(3-bromobenzylidene)-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(3-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
- 영어명
- (E)-N-(3-bromobenzylidene)-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C19H17BrN4O2
- 분자량
- 413.27
이름 및 동의어
1285535-96-7(E)-N'-(3-bromobenzylidene)-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazideN'-[(E)-(3-bromophenyl)methylidene]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazideN'-[(1E)-(3-bromophenyl)methylidene]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazideSTK104984AKOS001636647N-[(E)-(3-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamideST022725F1092-1826N-[(1E)-2-(3-bromophenyl)-1-azavinyl][3-(3-ethoxyphenyl)pyrazol-5-yl]carboxami deN'-(3-BROMOBENZYLIDENE)-3-(3-ETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-(3-BROMOBENZYLIDENE)-3-(3-ETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
이름 더 보기
(E)-N-(3-bromobenzylidene)-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(3-ethoxyphenyl)-, (2E)-2-[(3-bromophenyl)methylene]hydrazide
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 79.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 490
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.78 · 9.78±0.46(Predicted)
화학 및 산업
공급사5 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
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