4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenesulfonic acid

HCID 86662224

기본 정보

표준 SMILES
COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(S(=O)(=O)O)cc3F)n2-c2ccc(F)cc2)ccc1Cl
InChIKey
GADUPWPIEWFVJS-UHFFFAOYSA-N
분자식
C26H22ClF3N2O4S2
평균 분자량
583 g/mol

이름 및 식별자

우선 이름
4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenesulfonic acid
IUPAC
4-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorobenzenesulfonic acid

이름 및 동의어

SCHEMBL604444GADUPWPIEWFVJS-UHFFFAOYSA-N4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorbenzenesulfonic acid4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenesulfonic acid

데이터베이스 식별자

PubChem CID
86662224

물성

구조 계산 물성

XLogP
6.5
극성 표면적
115 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
38

관련 반응

4건

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