기본 정보
- CAS
1285521-12-1- 표준 SMILES
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)[nH]n2)cc1- InChIKey
XOBOITNPAFVTOY-JVWAILMASA-N- 분자식
- C26H22N4O4
- 평균 분자량
- 454.5 g/mol
이름 및 식별자
- 우선 이름
- (E)-methyl 4-((2-(3-(4-(benzyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
- IUPAC
- methyl 4-[(E)-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
- 영어명
- methyl (E)-4-((2-(3-(4-(benzyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
- 분자식
- C26H22N4O4
- 분자량
- 454.48
이름 및 동의어
1285521-12-1(E)-methyl 4-((2-(3-(4-(benzyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoatemethyl 4-[(1E)-[({3-[4-(benzyloxy)phenyl]-1H-pyrazol-5-yl}formamido)imino]methyl]benzoateSTK109044AKOS000558216methyl 4-[(E)-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoateST50054120F1092-1605methyl 4-[(1E)-2-({3-[4-(phenylmethoxy)phenyl]pyrazol-5-yl}carbonylamino)-2-az avinyl]benzoateMETHYL 4-[(E)-[({3-[4-(BENZYLOXY)PHENYL]-1H-PYRAZOL-5-YL}FORMAMIDO)IMINO]METHYL]BENZOATEmethyl 4-{(E)-[({3-[4-(benzyloxy)phenyl]-1H-pyrazol-5-yl}carbonyl)hydrazono]methyl}benzoate4((5(4-BENZYLOXY-PH)2H-PYRAZOLE-3-CARBONYL)HYDRAZONOMETHYL)BENZOIC ACID ME ESTER
이름 더 보기
methyl (E)-4-((2-(3-(4-(benzyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoatemethyl 4-{(E)-[2-({3-[4-(benzyloxy)phenyl]-1H-pyrazol-5-yl}carbonyl)hydrazinylidene]methyl}benzoate1H-Pyrazole-3-carboxylic acid, 5-[4-(phenylmethoxy)phenyl]-, (2E)-2-[[4-(methoxycarbonyl)phenyl]methylene]hydrazide
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 680
물리화학적 성질
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.68 · 9.68±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]
VITAS-BB—
IFLAB-BB[email protected]
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