Methyl 2-((S)-6-((R)-7-fluoro-4-(4-((4-hydroxytetrahydro-2H-pyran-4-yl)methoxy)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

HCID 86697194
노트반응
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기본 정보

표준 SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(OCC6(O)CCOCC6)cc5C)ccc(F)c43)ccc21
InChIKey
HNLRNOPNFAFBRX-KPURRNSFSA-N
분자식
C34H37FO7
평균 분자량
576.6 g/mol

이름 및 식별자

우선 이름
Methyl 2-((S)-6-((R)-7-fluoro-4-(4-((4-hydroxytetrahydro-2H-pyran-4-yl)methoxy)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
IUPAC
methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[4-[(4-hydroxyoxan-4-yl)methoxy]-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

이름 및 동의어

SCHEMBL15262221HNLRNOPNFAFBRX-KPURRNSFSA-NMethyl 2-((S)-6-((R)-7-fluoro-4-(4-((4-hydroxytetrahydro-2H-pyran-4-yl)methoxy)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

데이터베이스 식별자

PubChem CID
86697194

물성

구조 계산 물성

XLogP
5.4
극성 표면적
83.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
42

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