기본 정보
- CAS
709646-11-7- 표준 SMILES
CCOC(=O)NC(C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F- InChIKey
MGALSPDJAJLEKT-UHFFFAOYSA-N- 분자식
- C25H28F4N4O7
- 평균 분자량
- 572.5 g/mol
이름 및 식별자
- 우선 이름
- 1-Cyclopropyl-7-{4-[1-(ethoxycarbonyl)-1-(ethoxycarbonylamino)-2,2,2-trifluoro ethyl]piperazinyl}-6-fluoro-4-oxohydroquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-7-[4-[3-ethoxy-2-(ethoxycarbonylamino)-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
- 영어명
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)aMino]-2,2,2-trifluoroethyl]-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-
- 분자식
- C25H28F4N4O7
- 분자량
- 572.5060328
이름 및 동의어
MGALSPDJAJLEKT-UHFFFAOYSA-NAKOS024371566ST510082611-Cyclopropyl-7-(4-(1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl)-1-piperazinyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid #1-Cyclopropyl-7-(4-[1-(ethoxycarbonyl)-1-(ethoxycarbonylamino)-2,2,2-trifluoroethyl]-1-piperazinyl)-6-fluoro-4(1H)-oxo-3-quinolinecarboxylic acid1-cyclopropyl-7-{4-[1-(ethoxycarbonyl)-1-(ethoxycarbonylamino)-2,2,2-trifluoro ethyl]piperazinyl}-6-fluoro-4-oxohydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)aMino]-2,2,2-trifluoroethyl]-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-
데이터베이스 식별자
- CAS
709646-11-7
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
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