기본 정보
- 표준 SMILES
CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Br)C1- InChIKey
LQDVQPGHLHYNSA-UHFFFAOYSA-N- 분자식
- C19H15BrF3N5O3
- 평균 분자량
- 498.3 g/mol
이름 및 식별자
- 우선 이름
- 1-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
WQ 2743189280-13-51-(6-amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acidorb1708216SCHEMBL2921570LQDVQPGHLHYNSA-UHFFFAOYSA-NPHA28013AKOS040740573CS-6821DA-59151HY-101651T13347
이름 더 보기
1-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-(3-(methylamino)azetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(6-amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-(3-methylaminoazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(6-amino-3,5-difluoropyridine-2-yl)-8-bromo-6-fluoro-7-(3-methylaminoazetidine-1 -yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(6-amino-3,5-difluoropyridine-2-yl)-8-bromo-6-fluoro-7-(3-methylaminoazetidine-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 9870502
- Nikkaji
- J1.450.567I
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 770
관련 반응
4건
화합물 노트
불러오는 중…