1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
기본 정보
- CAS
496025-93-5- 표준 SMILES
Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)n2c2ccccc12- InChIKey
SNJOAJRURQZORP-UHFFFAOYSA-N- 분자식
- C25H20ClFN4OS
- 평균 분자량
- 479 g/mol
이름 및 식별자
- 우선 이름
- 1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
- IUPAC
- 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
- 영어명
- 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
- 분자식
- C25H20ClFN4OS
- 분자량
- 478.9689032
이름 및 동의어
1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone496025-93-5AKOS001054077UPCMLD0ENAT0513-6099:001ST50050180AF-399/40920976Z202410331-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(5-methyl(10-hydro-1 ,2,4-triazolo[4,3-a]quinolinylthio))ethan-1-one
데이터베이스 식별자
- CAS
496025-93-5
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 718
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