1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(4'-t-butoxycarbonylamino-3',3'-dimethylpiperidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
기본 정보
- 표준 SMILES
COc1c(N2CCC(NC(=O)OC(C)(C)C)C(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
AWTOOJJUZFELOB-UHFFFAOYSA-N- 분자식
- C26H34FN3O6
- 평균 분자량
- 503.6 g/mol
이름 및 식별자
- 우선 이름
- 1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(4'-t-butoxycarbonylamino-3',3'-dimethylpiperidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-7-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
SCHEMBL4368306AWTOOJJUZFELOB-UHFFFAOYSA-N1-cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(4'-t-butoxycarbonylamino-3', 3'-dimethylpiperidin-1-yl)-4-oxo-quinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(4'-t-butoxycarbonylamino-3',3'-dimethylpiperidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 10300786
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 927
관련 반응
1건
화합물 노트
불러오는 중…