기본 정보
- 표준 SMILES
COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
PYQNMENWNYSZBS-UHFFFAOYSA-N- 분자식
- C27H30FN3O7
- 평균 분자량
- 527.5 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl 4-(((4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-yl)oxy)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidine-1-carboxylate
이름 및 동의어
849217-45-4tert-Butyl 4-(((4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-yl)oxy)methyl)piperidine-1-carboxylateMFCD26389278tert-butyl 4-((4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-yloxy)methyl)piperidine-1-carboxylateSCHEMBL371861C27H30FN3O7PYQNMENWNYSZBS-UHFFFAOYSA-NDB-352941G680851-Piperidinecarboxylic acid, 4-[[[4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-quinolinyl]oxy]methyl]-, 1,1-dimethylethyl ester4-[4-(2-fluoro-4-nitro-phenoxy)-6-methoxy-quinolin-7-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[[4-(2-fluoro-4-nitro-phenoxy)-6-methoxy-7-quinolyl]oxymethyl]piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 59342475
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 799
관련 반응
16건
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