Methyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-((1-methyl-2-oxo-1,2-dihydropyridin-4-yl)methoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

HCID 86697362
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(OCc6ccn(C)c(=O)c6)cc5C)ccc(F)c43)ccc21
InChIKey
XZTHHGAZJCBECM-WVXBCFDCSA-N
분자식
C35H34FNO6
평균 분자량
583.6 g/mol
단동위원소 질량
583.23701597

이름 및 식별자

우선 이름
Methyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-((1-methyl-2-oxo-1,2-dihydropyridin-4-yl)methoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
IUPAC
methyl 2-[(3S)-6-[[(1R)-4-[2,6-dimethyl-4-[(1-methyl-2-oxo-4-pyridinyl)methoxy]phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

이름 및 동의어

SCHEMBL15262833XZTHHGAZJCBECM-WVXBCFDCSA-NMethyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-((1-methyl-2-oxo-1,2-dihydropyridin-4-yl)methoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

데이터베이스 식별자

PubChem CID
86697362

물성

구조 계산 물성

XLogP
5.4
극성 표면적
74.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
9
무거운 원자 수
43

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