methyl[(3S)-6-({2'-(acetoxymethyl)-6'-methyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

HCID 59342597

기본 정보

표준 SMILES
COC(=O)C[C@@H]1COc2cc(OCc3cccc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4COC(C)=O)c3)ccc21
InChIKey
QVUZJRAYASPWSV-RUZDIDTESA-N
분자식
C32H36O9S
평균 분자량
596.7 g/mol

이름 및 식별자

우선 이름
methyl[(3S)-6-({2'-(acetoxymethyl)-6'-methyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
IUPAC
methyl 2-[(3S)-6-[[3-[2-(acetyloxymethyl)-6-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

이름 및 동의어

SCHEMBL2689025QVUZJRAYASPWSV-RUZDIDTESA-Nmethyl [(3S)-6-({2'-(acetoxymethyl)-6'-methyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetatemethyl[(3S)-6-({2'-(acetoxymethyl)-6'-methyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

데이터베이스 식별자

PubChem CID
59342597

물성

구조 계산 물성

XLogP
4.4
극성 표면적
123 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
15
무거운 원자 수
42

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8건

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