기본 정보
- 표준 SMILES
Cc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CC(C)C)n2)cc1F- InChIKey
WZUBUBDBWAPOES-UHFFFAOYSA-N- 분자식
- C17H21FN2O4S
- 평균 분자량
- 368.4 g/mol
이름 및 식별자
- 우선 이름
- 6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one
- IUPAC
- [6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
이름 및 동의어
SCHEMBL1924475WZUBUBDBWAPOES-UHFFFAOYSA-N6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methane-sulfonylox ymethyl-2H-pyridazin-3-one6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methanesulfony loxymethyl-2H-pyridazin-3-one6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methanesulfonyloxy methyl-2H-pyridazin-3-one6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methanesulfonyloxymethyl-2H-pyridazin-3-one
데이터베이스 식별자
- PubChem CID
- 21991531
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 84.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 667
관련 반응
24건
화합물 노트
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