기본 정보
- CAS
1285641-38-4- 표준 SMILES
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1- InChIKey
KUAGPKIJBSIBLP-AFUMVMLFSA-N- 분자식
- C24H22N6O3
- 평균 분자량
- 442.5 g/mol
- 단동위원소 질량
- 442.17533859
이름 및 식별자
- 우선 이름
- methyl 4-[(E)-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
- IUPAC
- methyl 4-[(E)-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
- 영어명
- methyl (E)-4-((2-(3,5-dimethyl-1-phenyl-1H,1H-[3,4-bipyrazole]-5-carbonyl)hydrazono)methyl)benzoate
- 분자식
- C24H22N6O3
- 분자량
- 442.47
이름 및 동의어
1285641-38-4(E)-methyl 4-((2-(3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)hydrazono)methyl)benzoatemethyl 4-[(1E)-[({3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-yl}formamido)imino]methyl]benzoateSTK109599AKOS001635280methyl 4-[(E)-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoateST022091SR-01000108858SR-01000108858-1F1092-1292(E)-METHYL 4-((2-(3',5'-DIMETHYL-1'-PHENYL-1H,1'H-3,4'-BIPYRAZOLE-5-CARBONYL)HYDRAZONO)METHYL)BENZOATEmethyl 4-((1E)-2-{[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrazol-5-yl]carbonyla mino}-2-azavinyl)benzoate
이름 더 보기
methyl (E)-4-((2-(3,5-dimethyl-1-phenyl-1H,1H-[3,4-bipyrazole]-5-carbonyl)hydrazono)methyl)benzoate[3,4'-Bi-1H-pyrazole]-5-carboxylic acid, 3',5'-dimethyl-1'-phenyl-, (2E)-2-[[4-(methoxycarbonyl)phenyl]methylene]hydrazide
methyl 4-[(E)-{2-[(3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazol-5-yl)carbonyl]hydrazinylidene}methyl]benzoate
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 704
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.56 · 10.56±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]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
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