기본 정보
- CAS
338400-94-5- 표준 SMILES
CCOC(=O)C1=NOC(C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1- InChIKey
JAXKNEPBYSBXDC-UHFFFAOYSA-N- 분자식
- C14H14ClF3N4O4
- 평균 분자량
- 394.73 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
- IUPAC
- ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
- 영어명
- Ethyl 5-((2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino)carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
- 분자식
- C14H14ClF3N4O4
- 분자량
- 394.73
이름 및 동의어
338400-94-5ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylateethyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylateethyl 5-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylateMFCD01315616Bionet1_002786MLS000696037C14H14ClF3N4O4CHEMBL1391579HMS576H08HMS2663F18AKOS005085862
이름 더 보기
Ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydroEthyl 5-((2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino)carbonyl)-4,5-dihydro-3-isoxazolecarboxylate3,5-Isoxazoledicarboxylic acid, 4,5-dihydro-, 3-ethyl ester, 5-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazide]
SMR0003349402M-901Ethyl 5-(2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-methylhydrazine-1-carbonyl)-4,5-dihydroisoxazole-3-carboxylateethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]carbamoyl]-4,5-dihydroisoxazole-3-carboxylateethyl5-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 575
물리화학적 성질
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.68 · 10.68±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사2 곳
BIONET-INTER[email protected]
MATRIX[email protected]
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