{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

HCID 67024299

기본 정보

표준 SMILES
CCOC(=O)COc1ccc(Sc2cc(C#Cc3ccc(CO)cc3)cc(OCCc3ccc(Cl)cc3)c2)cc1C
InChIKey
MKDFVYXVVVUGIF-UHFFFAOYSA-N
분자식
C34H31ClO5S
평균 분자량
587.1 g/mol

이름 및 식별자

우선 이름
{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester
IUPAC
ethyl 2-[4-[3-[2-(4-chlorophenyl)ethoxy]-5-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]sulfanyl-2-methylphenoxy]acetate

이름 및 동의어

SCHEMBL1417196MKDFVYXVVVUGIF-UHFFFAOYSA-N{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenyl-sulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid Ethyl Ester{4-[3-[2-(4-Chloro-phenyl)ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester{4-[3-[2-(4-Chlorophenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

데이터베이스 식별자

PubChem CID
67024299

물성

구조 계산 물성

XLogP
8.3
극성 표면적
90.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
14
무거운 원자 수
41

관련 반응

86건

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