(4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HCID 57709169

기본 정보

표준 SMILES
CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1
InChIKey
YRJJYGDXGZQRER-UHFFFAOYSA-N
분자식
C33H36F6O3
평균 분자량
594.6 g/mol
단동위원소 질량
594.25686398

이름 및 식별자

우선 이름
(4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
IUPAC
methyl 2-[4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]phenyl]pentan-3-yl]phenyl]phenyl]acetate

이름 및 동의어

(4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl esterSCHEMBL1525342(4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid Methyl Ester

데이터베이스 식별자

PubChem CID
57709169

물성

구조 계산 물성

XLogP
10
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
42

관련 반응

4건

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