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
- 형식 전하
- 0
- 복잡도
- 616
관련 반응
16건
연결된 노트
불러오는 중…