기본 정보
- CAS
1285674-12-5- 표준 SMILES
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc3ccccc3c2)[nH]n1- InChIKey
JFBXUGPWDWRNQG-WYMPLXKRSA-N- 분자식
- C21H14Cl2N4O
- 평균 분자량
- 409.3 g/mol
- 단동위원소 질량
- 408.0544665
이름 및 식별자
- 우선 이름
- (E)-N'-(2,6-dichlorobenzylidene)-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
- 영어명
- (E)-N-(2,6-dichlorobenzylidene)-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C21H14Cl2N4O
- 분자량
- 409.27
이름 및 동의어
1285674-12-5(E)-N'-(2,6-dichlorobenzylidene)-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazideN'-[(1E)-(2,6-dichlorophenyl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazideMFCD01913454STK102420ZINC33330200AKOS001327872N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamideZINC000001867568ST50053908AB00673211-01Z57458644
이름 더 보기
(E)-N-(2,6-dichlorobenzylidene)-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazideN'-[(E)-(2,6-dichlorophenyl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(2-naphthalenyl)-, (2E)-2-[(2,6-dichlorophenyl)methylene]hydrazide
F1092-1024Clc1cccc(c1C=NNC(=O)c1(nH)nc(c1)c1ccc2c(c1)cccc2)Cl(E)N(26dichlorobenzylidene)3(naphthalen2yl)1Hpyrazole5carbohydrazideC1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=C(C=CC=C4Cl)ClN'-(2,6-DICHLOROBENZYLIDENE)-3-(2-NAPHTHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN((1E)2(26DICHLOROPHENYL)1AZAVINYL)(3(2NAPHTHYL)PYRAZOL5YL)CARBOXAMIDEN((E)(26DICHLOROPHENYL)METHYLIDENE)3(NAPHTHALEN2YL)1HPYRAZOLE5CARBOHYDRAZIDEN((E)(26DICHLOROPHENYL)METHYLIDENEAMINO)3NAPHTHALEN2YL1HPYRAZOLE5CARBOXAMIDE
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 565
물리화학적 성질
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.13 · 11.13±0.10(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]
VITAS-BB—
IFLAB-BB[email protected]
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