기본 정보
- CAS
1956366-08-7- 표준 SMILES
CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(-c2ccc(F)cc2Cl)nn1CCNC(=O)OC(C)(C)C- InChIKey
SIJWWVXSGLVXHN-UHFFFAOYSA-N- 분자식
- C20H22ClF4N3O7S
- 평균 분자량
- 559.9 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 3-(2-chloro-4-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-(trifluoromethylsulfonyloxy)pyrazole-5-carboxylate
- 영어명
- Ethyl 1-(2-((Tert-Butoxycarbonyl)Amino)Ethyl)-3-(2-Chloro-4-Fluorophenyl)-4-(((Trifluoromethyl)Sulfonyl)Oxy)-1H-Pyrazole-5-Carboxylate(WXC02056)
- 분자식
- C20H22ClF4N3O7S
- 분자량
- 559.92
이름 및 동의어
1956366-08-7Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylateethyl 1-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-3-(2-chloro-4-fluorophenyl)-4-(trifluoromethanesulfonyloxy)-1H-pyrazole-5-carboxylateethyl 5-(2-chloro-4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-(trifluoromethylsulfonyloxy)pyrazole-3-carboxylateC20H22ClF4N3O7SMFCD28991974AKOS027256479AS-75196W11406ethyl 2-[2-(tert-butoxycarbonylamino)ethyl]-5-(2-chloro-4-fluoro-phenyl)-4-(trifluoromethylsulfonyloxy)pyrazole-3-carboxylateEthyl1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylateEthyl 1-(2-((Tert-Butoxycarbonyl)Amino)Ethyl)-3-(2-Chloro-4-Fluorophenyl)-4-(((Trifluoromethyl)Sulfonyl)Oxy)-1H-Pyrazole-5-Carboxylate(WXC02056)
이름 더 보기
1H-Pyrazole-5-carboxylic acid, 3-(2-chloro-4-fluorophenyl)-1-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 882
물리화학적 성질
- 끓는 점
- 617.2 · 617.2±55.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.99 · 11.99±0.46(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
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
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