기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc(OCc2ccccc2)cc2ncn(COC(=O)C(C)(C)C)c(=O)c12- InChIKey
KESMDRMXXDOXQB-JOCHJYFZSA-N- 분자식
- C31H39N3O7
- 평균 분자량
- 565.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl(2R)-2-{[(7-(benzyloxy)-3-{[(2,2-dimethylpropanoyl)oxy]methyl}-4-oxo-3,4-dihydroquinazolin-5-yl)oxy]methyl}pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R)-2-[[3-(2,2-dimethylpropanoyloxymethyl)-4-oxo-7-phenylmethoxyquinazolin-5-yl]oxymethyl]pyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL6019927KESMDRMXXDOXQB-JOCHJYFZSA-Ntert-butyl (2R)-2-{[(7-(benzyloxy)-3-{[(2,2-dimethylpropanoyl)oxy]-methyl}4-oxo-3,4-dihydroquinazolin-5-yl)oxy]methyl}pyrrolidine-1-carboxylatetert-butyl (2R)-2-{[(7-(benzyloxy)-3-{[(2,2-dimethylpropanoyl)oxy]methyl}-4-oxo-3,4-dihydroquinazolin-5-yl)oxy]methyl}pyrrolidine-1-carboxylatetert-butyl(2R)-2-{[(7-(benzyloxy)-3-{[(2,2-dimethylpropanoyl)oxy]methyl}-4-oxo-3,4-dihydroquinazolin-5-yl)oxy]methyl}pyrrolidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 69638708
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 950
관련 반응
3건
화합물 노트
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