기본 정보
- CAS
1285488-93-8- 표준 SMILES
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1- InChIKey
VKILVBBPHXLWNF-JFLMPSFJSA-N- 분자식
- C26H22N6O2
- 평균 분자량
- 450.5 g/mol
- 단동위원소 질량
- 450.18042397
이름 및 식별자
- 우선 이름
- (E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazide
- IUPAC
- 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
- 영어명
- (E)-N-((2-hydroxynaphthalen-1-yl)methylene)-3,5-dimethyl-1-phenyl-1H,1H-[3,4-bipyrazole]-5-carbohydrazide
- 분자식
- C26H22N6O2
- 분자량
- 450.49
이름 및 동의어
1285488-93-8(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazide3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamideN'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]-3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazideSTK106765AKOS001635442ST022585F1092-1297(E)-N'-((2-HYDROXYNAPHTHALEN-1-YL)METHYLENE)-3',5'-DIMETHYL-1'-PHENYL-1H,1'H-3,4'-BIPYRAZOLE-5-CARBOHYDRAZIDEN'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carbohydrazideN-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl][3-(3,5-dimethyl-1-phenylpyrazol-4-yl )pyrazol-5-yl]carboxamide(E)-N-((2-hydroxynaphthalen-1-yl)methylene)-3,5-dimethyl-1-phenyl-1H,1H-[3,4-bipyrazole]-5-carbohydrazide
이름 더 보기
[3,4'-Bi-1H-pyrazole]-5-carboxylic acid, 3',5'-dimethyl-1'-phenyl-, (2E)-2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 728
물리화학적 성질
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.77 · 7.77±0.50(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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