1,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycinate

HCID 67099764

기본 정보

표준 SMILES
CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2ccc(Br)cc2C(C)(C)C1=O
InChIKey
WZIWISDUGWSNHA-UHFFFAOYSA-N
분자식
C19H22BrNO5
평균 분자량
424.3 g/mol

이름 및 식별자

우선 이름
1,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycinate
IUPAC
tert-butyl 2-[(6-bromo-1-hydroxy-4,4-dimethyl-3-oxonaphthalene-2-carbonyl)amino]acetate

이름 및 동의어

SCHEMBL1626772SCHEMBL1626927HTEIBLLKWTXBHB-UHFFFAOYSA-NWZIWISDUGWSNHA-UHFFFAOYSA-N1,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycinate1035262-03-3DA-304651,1-Dimethylethyl N-((7-bromo-4-hydroxy-1,1-dimethyl-2-oxo-naphthalene-3-yl)carbonyl)glycinateTert-butyl 2-(7-bromo-2-hydroxy-1,1-dimethyl-4-oxo-1,4-dihydronaphthalene-3-carboxamido)acetate

데이터베이스 식별자

PubChem CID
67099764

물성

구조 계산 물성

XLogP
4.3
극성 표면적
92.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
26

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