Benzyl 1-benzyl-3-(2-(tert-butoxy)-2-oxoethyl)-4-methylpyrrolidine-3-carboxylate
기본 정보
- 표준 SMILES
CC1CN(Cc2ccccc2)CC1(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1- InChIKey
JSZVHFKTUXLNHT-UHFFFAOYSA-N- 분자식
- C26H33NO4
- 평균 분자량
- 423.5 g/mol
이름 및 식별자
- 우선 이름
- Benzyl 1-benzyl-3-(2-(tert-butoxy)-2-oxoethyl)-4-methylpyrrolidine-3-carboxylate
- IUPAC
- benzyl 1-benzyl-4-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate
이름 및 동의어
2306262-05-3Benzyl 1-benzyl-3-(2-(tert-butoxy)-2-oxoethyl)-4-methylpyrrolidine-3-carboxylatebenzyl 1-benzyl-3-(2-tert-butoxy-2-oxo-ethyl)-4-methyl-pyrrolidine-3-carboxylateSCHEMBL17389294JSZVHFKTUXLNHT-UHFFFAOYSA-NBenzyl(3RS,4SR)-1-benzyl-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylateBenzyl (3RS,4SR)-1-benzyl-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 86678244
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 601
관련 반응
2건
화합물 노트
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