Methyl [7-bromo-4-(3,4-dimethylphenyl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(1,1-dimethylethyl)oxy]acetate

HCID 68295047

기본 정보

표준 SMILES
COC(=O)C(OC(C)(C)C)c1c(-c2ccc(C)c(C)c2)c2ccc(Br)cc2c(=O)n1C
InChIKey
VFMJZFRYRHJBME-UHFFFAOYSA-N
분자식
C25H28BrNO4
평균 분자량
486.4 g/mol

이름 및 식별자

우선 이름
Methyl [7-bromo-4-(3,4-dimethylphenyl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(1,1-dimethylethyl)oxy]acetate
IUPAC
methyl 2-[7-bromo-4-(3,4-dimethylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

이름 및 동의어

SCHEMBL12498731VFMJZFRYRHJBME-UHFFFAOYSA-Nmethyl [7-bromo-4-(3,4-dimethylphenyl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(1,1-dimethylethyl)oxy]acetatemethyl 2-(7-bromo-4-(3,4-dimethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)-2-(tert-butoxy)acetate

데이터베이스 식별자

PubChem CID
68295047

물성

구조 계산 물성

XLogP
4.9
극성 표면적
55.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
31

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7건

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