6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one

HCID 21991531

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

관련 반응

24건

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