2-[6-Fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid

HCID 114866CAS 59864-04-9

기본 정보

표준 SMILES
CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)(=O)=O)cc1
InChIKey
MVGSNCBCUWPVDA-UHFFFAOYSA-N
분자식
C20H17FO4S
평균 분자량
372.4 g/mol
단동위원소 질량
372.08315824

이름 및 식별자

우선 이름
2-[6-Fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
IUPAC
2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid

이름 및 동의어

Aptosyn; Exisulind59864-04-92-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid2-(5-Fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetic acidC20H17FO4S5-Fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-1H-indene-3-acetic acid5-Fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-1H-indene-3-acetic acidSCHEMBL4776597(Z)-5-Fluoro-2-methyl-1[p-(methylsulfonyl)benzylidene]indene-3-acetic AcidDTXSID60860748(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid1H-Indene-3-acetic acid, 5-fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-
이름 더 보기
MVGSNCBCUWPVDA-UHFFFAOYSA-NHMS3374B04AKOS030242523FS27971SB173471H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-, (1Z)-5-fluoro-2-methyl-1-(p-methylsulfonylbenzylidene)-3 -indenyl acetic acid5-fluoro-2-methyl-1-(p-methylsulfonylbenzylidene)-3-indenyl acetic acid

데이터베이스 식별자

CAS
59864-04-9
PubChem CID
114866
DTXSID
DTXSID60860748

물성

구조 계산 물성

XLogP
3.5
극성 표면적
79.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
26

화학 및 산업

약리 정보

Tissue LocationsKidney
Cellular LocationsCytoplasm

관련 반응

13건

연결된 노트

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