3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(4-chloro-phenoxy)-2-methyl-propionic acid (HCID 10281393)

기본 정보

표준 SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CC(C)(Oc2ccc(Cl)cc2)C(=O)O)cc1
InChIKey: IWPWLTHKDQSYRC-UHFFFAOYSA-N
분자식: C34H30ClNO5
평균 분자량: 568.1 g/mol

이름 및 식별자

우선 이름: 3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(4-chloro-phenoxy)-2-methyl-propionic acid
IUPAC: 2-(4-chlorophenoxy)-2-methyl-3-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid

이름 및 동의어

SCHEMBL5209437IWPWLTHKDQSYRC-UHFFFAOYSA-N3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(4-chloro-phenoxy)-2-methyl-propionic acid3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(4chloro-phenoxy)-2-methyl-propionic acid

데이터베이스 식별자

PubChem CID: 10281393

물성

구조 계산 물성

XLogP: 8.4
극성 표면적: 81.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 11
무거운 원자 수: 41
형식 전하: 0
복잡도: 799

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