기본 정보
- CAS
1285536-79-9- 표준 SMILES
COc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)[nH]n2)c1O- InChIKey
KUSWETLJJJQWHG-RQZCQDPDSA-N- 분자식
- C16H14N4O3S
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.07866149
이름 및 식별자
- 우선 이름
- (E)-N'-(2-hydroxy-3-methoxybenzylidene)-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
- 영어명
- (E)-N-(2-hydroxy-3-methoxybenzylidene)-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C16H14N4O3S
- 분자량
- 342.37
이름 및 동의어
1285536-79-9(E)-N'-(2-hydroxy-3-methoxybenzylidene)-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazideN'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazideN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamideorb1737526STK107564AKOS001341673ST022785SR-01000109025SR-01000109025-1Z57065111F1092-1320
이름 더 보기
R995045(E)-N-(2-hydroxy-3-methoxybenzylidene)-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(2-thienyl)-, (2E)-2-[(2-hydroxy-3-methoxyphenyl)methylene]hydrazide
N'-(2-HYDROXY-3-METHOXYBENZYLIDENE)-3-(2-THIENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl](3-(2-thienyl)pyrazol-5-yl)ca rboxamideN'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 465
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.14 · 8.14±0.40(Predicted)
화학 및 산업
공급사2 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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