5-Fluoro-3-[5-fluoro-4-(methylsulfinyl)-2-pyrimidinyl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
기본 정보
- CAS
1259279-58-7- 표준 SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(S(C)=O)n3)c3cc(F)cnc32)cc1- InChIKey
LMBBWYXNNKBTFS-UHFFFAOYSA-N- 분자식
- C19H14F2N4O3S2
- 평균 분자량
- 448.5 g/mol
- 단동위원소 질량
- 448.04753875
이름 및 식별자
- 우선 이름
- 5-Fluoro-3-[5-fluoro-4-(methylsulfinyl)-2-pyrimidinyl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
이름 및 동의어
1259279-58-75-Fluoro-3-[5-fluoro-4-(methylsulfinyl)-2-pyrimidinyl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine5-Fluoro-3-(5-fluoro-4-(methylsulfinyl)-2-pyrimidinyl)-1-((4-methylphenyl)sulfonyl)-1H-pyrrolo(2,3-b)pyridineRefChem:3031855-Fluoro-3-(5-fluoro-4-(methylsulfinyl)pyrimidin-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine5-fluoro-3-[5-fluoro-4-(methylsulfinyl)pyrimidin-2-yl]-1-tosyl-1H-pyrrolo[2,3-b]pyridineSCHEMBL2125189LMBBWYXNNKBTFS-UHFFFAOYSA-NDTXSID201108970SB182455-fluoro-2-[5-fluoro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methanesulfinylpyrimidine5-fluoro-3-(5-fluoro-4-methylsulfinyl-pyrimidin-2-yl)-1-(p-tolylsulfonyl)-pyrrolo[2,3-b]pyridine
이름 더 보기
5-fluoro-3-(5-fluoro-4-methylsulfinyl-pyrimidin-2-yl)-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 745
관련 반응
12건
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