기본 정보
- 표준 SMILES
Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Br)c32)c(F)cc1F- InChIKey
ZDCBDDOYPBTCLT-UHFFFAOYSA-N- 분자식
- C18H12BrF3N4O4
- 평균 분자량
- 485.2 g/mol
이름 및 식별자
- 우선 이름
- 1-(6-Amino-3,5-difluoro-2-pyridyl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
SCHEMBL7851193ZDCBDDOYPBTCLT-UHFFFAOYSA-N1-(6-amino-3,5-difluoro-2-pyridyl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid1-(6-amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(6-amino-3,5-difluoropyridine-2-yl)-8-bromo-6-fluoro-7-(3-hydroxyazetidine-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-
데이터베이스 식별자
- PubChem CID
- 510577
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 755
관련 반응
5건
화합물 노트
불러오는 중…