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1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-4-[2-(methylthio)-4-pyrimidinyl]-2(1H)-pyridinone

HCID 86696648
노트반응
기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1453851-79-0
표준 SMILES
CSc1nccc(-c2ccn([C@H](CO[Si](C)(C)C(C)(C)C)c3ccc(Cl)c(F)c3)c(=O)c2)n1
InChIKey
MBVRZOISNGJZGC-OAQYLSRUSA-N
분자식
C24H29ClFN3O2SSi
평균 분자량
506.1 g/mol
단동위원소 질량
505.1422306

이름 및 식별자

우선 이름
1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-4-[2-(methylthio)-4-pyrimidinyl]-2(1H)-pyridinone
IUPAC
1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethyl]-4-(2-methylsulfanylpyrimidin-4-yl)pyridin-2-one
영어명
(S)-1-(2-(tert-butyldimethylsilyloxy)-1-(4-chloro-3-fluorophenyl)ethyl)-4-(2-(methylthio)pyrimidin-4-yl)pyridin-2(1H)-one
분자식
C24H29ClFN3O2SSi
분자량
506.11

이름 및 동의어

1453851-79-01-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-4-[2-(methylthio)-4-pyrimidinyl]-2(1H)-pyridinone1-((1S)-1-(4-Chloro-3-fluorophenyl)-2-(((1,1-dimethylethyl)dimethylsilyl)oxy)ethyl)-4-(2-(methylthio)-4-pyrimidinyl)-2(1H)-pyridinoneRefChem:221996(S)-1-(2-((tert-Butyldimethylsilyl)oxy)-1-(4-chloro-3-fluorophenyl)ethyl)-4-(2-(methylthio)pyrimidin-4-yl)pyridin-2(1H)-oneSCHEMBL15260614SCHEMBL31022711MBVRZOISNGJZGC-OAQYLSRUSA-NDTXSID601102162CS-0014416(S)-1-(2-(tert-butyldimethylsilyloxy)-1-(4-chloro-3-fluorophenyl)ethyl)-4-(2-(methylthio)pyrimidin-4-yl)pyridin-2(1H)-one(S)-1-(2-(tert-butyldimethylsilyloxy)-1-(4-chloro-3-fluorophenyl)ethyl)-4-(2-(methylthio)pyrimidin-4-yl)pyridin-2(1H)one
이름 더 보기
2(1H)-Pyridinone, 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-4-[2-(methylthio)-4-pyrimidinyl]-

물성

구조 계산 물성

극성 표면적
80.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
33
형식 전하
0
복잡도
760

화학 및 산업

상·하류 제품 정보

상류 원료

Benzenemethanol, 4-chloro-α-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-3-fluoro-, 1-methanesulfonate, (αR)-1,2-Ethanediol, 1-(4-chloro-3-fluorophenyl)-, (1R)-2(1H)-Pyridinone, 4-[2-(methylthio)-4-pyrimidinyl]-

공급사4 곳

上海德轩医药科技有限公司[email protected] · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
海南骅翔医药科技有限公司18389863383 · [email protected]

관련 반응

2건
반응 기록 만들기
HRID 1774146 반응식
HRID 1774146생성물로uspto-grants-2016_02
HRID 2365792 반응식
HRID 2365792생성물로uspto-grants-2014_04

화합물 노트

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데이터베이스 식별자

CAS
1453851-79-0
PubChem CID
86696648
DTXSID
DTXSID601102162