2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one

HCID 21991618

기본 정보

표준 SMILES
COc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CC3CC3)n2)cc1F
InChIKey
UUXJWIUUJPKSML-UHFFFAOYSA-N
분자식
C17H19FN2O5S
평균 분자량
382.4 g/mol

이름 및 식별자

우선 이름
2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one
IUPAC
[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate

이름 및 동의어

SCHEMBL1926181UUXJWIUUJPKSML-UHFFFAOYSA-N2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanes ulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanesulfonyloxymethyl-2H-pyridazin-3-one

데이터베이스 식별자

PubChem CID
21991618

물성

구조 계산 물성

XLogP
1.5
극성 표면적
93.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
26

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31건

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