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
- 형식 전하
- 0
- 복잡도
- 723
화학 및 산업
약리 정보
Tissue LocationsKidney
Cellular LocationsCytoplasm
관련 반응
13건
연결된 노트
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