1-(4'-{4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

HCID 66577430
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기본 정보

표준 SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)COCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1
InChIKey
CADFZGCUESKKDJ-UHFFFAOYSA-N
분자식
C32H30F3NO5
평균 분자량
565.6 g/mol
단동위원소 질량
565.20760754

이름 및 식별자

우선 이름
1-(4'-{4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
IUPAC
ethyl 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

이름 및 동의어

1-(4'-{4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl esterSCHEMBL22311-(4'-{-4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
66577430

물성

구조 계산 물성

XLogP
5.9
극성 표면적
81.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
41

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