methyl (E)-[2-methyl-4-[3-[4-(pyridin-2-ylethynyl)phenyl]-3-(4-trifluoromethylphenyl)allyloxy]phenoxy]acetate (HCID 86629275)

기본 정보

표준 SMILES: COC(=O)COc1ccc(OC/C=C(\c2ccc(C#Cc3ccccn3)cc2)c2ccc(C(F)(F)F)cc2)cc1C
InChIKey: DMZCZULSBHQQJG-UXHLAJHPSA-N
분자식: C33H26F3NO4
평균 분자량: 557.6 g/mol
단동위원소 질량: 557.1813928

이름 및 식별자

우선 이름: methyl (E)-[2-methyl-4-[3-[4-(pyridin-2-ylethynyl)phenyl]-3-(4-trifluoromethylphenyl)allyloxy]phenoxy]acetate
IUPAC: methyl 2-[2-methyl-4-[(E)-3-[4-(2-pyridin-2-ylethynyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]acetate

이름 및 동의어

methyl (E)-[2-methyl-4-[3-[4-(pyridin-2-ylethynyl)phenyl]-3-(4-trifluoromethylphenyl)allyloxy]phenoxy]acetatemethyl (E)-[2-methyl-4-[3-[4-(pyridin-2-ylethynyl)phenyl]-3-(4-trifluoromethyl phenyl)allyloxy]phenoxy]acetate

데이터베이스 식별자

PubChem CID: 86629275

물성

구조 계산 물성

XLogP: 8
극성 표면적: 57.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 41
형식 전하: 0
복잡도: 922

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