기본 정보
- CAS
116162-91-5- 표준 SMILES
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21- InChIKey
DEYKINRXCLHCDG-UHFFFAOYSA-N- 분자식
- C17H21FN4O3
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.15976871
이름 및 식별자
- 우선 이름
- 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
- 영어명
- 1-tert-Butyl-6-fluoro-1,4-dihydro-4-oxo-7-piperazino-1,8-naphthyridine-3-carboxylic acid
- 분자식
- C17H21FN4O3
- 분자량
- 348.37
이름 및 동의어
116162-91-5BRN 36274901,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-DTXSID80151302RefChem:221865DTXCID50737931-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acidDEYKINRXCLHCDG-UHFFFAOYSA-N1-tert-Butyl-6-fluoro-1,4-dihydro-4-oxo-7-piperazino-1,8-naphthyridine-3-carboxylic acidCHEMBL26891SCHEMBL96868511-tert-butyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
이름 더 보기
PD-135144BMY-333156-Fluoro-1-tert-butyl-7-(1-piperazinyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid6-Fluoro-1,4-dihydro-1-tert-butyl-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
1-(tert-Butyl)-6-fluoro-4-oxo-7-piperazinylhydropyridino[2,3-b]pyridine-3-carboxylic acid7-PIPERAZINYL-1-(1,1-DIMETHYLETHYL)-1,4-DIHYDRO-6-FLUORO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 583
관련 반응
2건
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