{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

HCID 86697103

기본 정보

표준 SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Br)ccc(F)c43)ccc21
InChIKey
VSQNITFCEFODMF-PIGZYNQJSA-N
분자식
C20H18BrFO4
평균 분자량
421.3 g/mol
단동위원소 질량
420.03725

이름 및 식별자

우선 이름
{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester
IUPAC
methyl 2-[(3S)-6-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

이름 및 동의어

SCHEMBL15262112VSQNITFCEFODMF-PIGZYNQJSA-N[(S)-6-((R)-4-bromo-7-fluoroindan-1-yloxy)-2,3-dihydrobenzo-furan-3-yl]-acetic acid methyl ester[(S)-6-((R)-4-Bromo-7-fluoroindan-1-yloxy)-2,3-dihydrobenzofuran-3-yl]-acetic acid methyl ester{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl esterMethyl 2-((S)-6-((R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

데이터베이스 식별자

PubChem CID
86697103

물성

구조 계산 물성

XLogP
4.2
극성 표면적
44.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
26

관련 반응

86건

연결된 노트

불러오는 중…