5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid

HCID 5352CAS 32004-68-5

기본 정보

표준 SMILES
CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1
InChIKey
MLKXDPUZXIRXEP-UHFFFAOYSA-N
분자식
C20H17FO3S
평균 분자량
356.4 g/mol
단동위원소 질량
356.08824362

개요

See also: Sulindac (annotation moved to).

이름 및 식별자

우선 이름
5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
IUPAC
2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid

이름 및 동의어

32004-68-55-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1h-indene-3-acetic acidRefChem:10729242-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acidC20H17FO3SR-Sulindac SulfoxideSulindac EP Impurity As20071H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acidSpectrum_001026
이름 더 보기
Prestwick0_000073Prestwick1_000073Spectrum2_001326Spectrum3_001365Spectrum4_000876SCHEMBL4203KBioGR_001571KBioGR_002320

데이터베이스 식별자

CAS
32004-68-5
PubChem CID
5352
DTXSID
DTXSID801383081
EC Number
250-893-8

물성

구조 계산 물성

XLogP
3.4
극성 표면적
73.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
25

관련 반응

16건

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