기본 정보
- CAS
1285531-43-2- 표준 SMILES
Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4c[nH]c5ccccc45)n[nH]3)cc2)cc1- InChIKey
ZVSMGINEHJBHCI-MUFRIFMGSA-N- 분자식
- C27H23N5O2
- 평균 분자량
- 449.5 g/mol
이름 및 식별자
- 우선 이름
- (E)-N'-((1H-indol-3-yl)methylene)-3-(4-((4-methylbenzyl)oxy)phenyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-1H-indol-3-ylmethylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
- 영어명
- (E)-N-((1H-indol-3-yl)methylene)-3-(4-((4-methylbenzyl)oxy)phenyl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C27H23N5O2
- 분자량
- 449.5
이름 및 동의어
1285531-43-2CHEMBL4593955(E)-N'-((1H-indol-3-yl)methylene)-3-(4-((4-methylbenzyl)oxy)phenyl)-1H-pyrazole-5-carbohydrazideN'-[(1E)-(1H-indol-3-yl)methylidene]-3-{4-[(4-methylphenyl)methoxy]phenyl}-1H-pyrazole-5-carbohydrazideBDBM50533144STK104274AKOS001641521N-[(E)-1H-indol-3-ylmethylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamideST50054365Z57459864F1092-2400N'-[(E)-(1H-INDOL-3-YL)METHYLIDENE]-3-{4-[(4-METHYLPHENYL)METHOXY]PHENYL}-1H-PYRAZOLE-5-CARBOHYDRAZIDE
이름 더 보기
(E)-N-((1H-indol-3-yl)methylene)-3-(4-((4-methylbenzyl)oxy)phenyl)-1H-pyrazole-5-carbohydrazideN'-[(E)-1H-indol-3-ylmethylidene]-3-{4-[(4-methylbenzyl)oxy]phenyl}-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-[4-[(4-methylphenyl)methoxy]phenyl]-, (2E)-2-(1H-indol-3-ylmethylene)hydrazide
N-((1E)-2-indol-3-yl-1-azavinyl)(3-{4-[(4-methylphenyl)methoxy]phenyl}pyrazol- 5-yl)carboxamide
데이터베이스 식별자
- CAS
1285531-43-2- ChEMBL
CHEMBL4593955
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 687
물리화학적 성질
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.98 · 9.98±0.46(Predicted)
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