(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

HCID 57709151

기본 정보

표준 SMILES
CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)cc2)c(C)c1
InChIKey
ORLYLTZSHCIECM-UHFFFAOYSA-N
분자식
C32H34F6O3
평균 분자량
580.6 g/mol
단동위원소 질량
580.24121391

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
IUPAC
2-[4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid

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 AcidSCHEMBL1525834

데이터베이스 식별자

PubChem CID
57709151

물성

구조 계산 물성

XLogP
9.7
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
41

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2건

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