2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromet hylphenyl)-2H-pyridazin-3-one

HCID 21991550

기본 정보

표준 SMILES
CC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(COS(C)(=O)=O)c1=O
InChIKey
QYEGUFPFWLUCLZ-UHFFFAOYSA-N
분자식
C17H19F3N2O4S
평균 분자량
404.4 g/mol

이름 및 식별자

우선 이름
2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromet hylphenyl)-2H-pyridazin-3-one
IUPAC
[2-(2-methylpropyl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methyl methanesulfonate

이름 및 동의어

2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromet hylphenyl)-2H-pyridazin-3-oneSCHEMBL19268922-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethyl phenyl)-2H-pyridazin-3-one2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethylp henyl)-2H-pyridazin-3-one2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethylphenyl)-2H-pyridazin-3-one

데이터베이스 식별자

PubChem CID
21991550

물성

구조 계산 물성

XLogP
2.9
극성 표면적
84.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
27

관련 반응

7건

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