기본 정보
- CAS
153468-00-9- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccc4OC)CC3)c(OC(F)F)c21- InChIKey
DEISLDFBMJLVTC-UHFFFAOYSA-N- 분자식
- C24H24F3N3O5
- 평균 분자량
- 491.5 g/mol
- 단동위원소 질량
- 491.16680536
이름 및 식별자
- 우선 이름
- 1-Ethyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-(4-(2-methoxyphenyl)-1-piperazinyl)-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 8-(difluoromethoxy)-1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- 영어명
- 1-Ethyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-[4-(2-methoxyphenyl )-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid
- 분자식
- C24H24F3N3O5
- 분자량
- 491.46
이름 및 동의어
153468-00-9K-121-Ethyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-(4-(2-methoxyphenyl)-1-piperazinyl)-4-oxoquinoline-3-carboxylic acid8-(difluoromethoxy)-1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid8-(Difluoromethoxy)-1-ethyl-6-fluoro-7-(4-(2-methoxyphenyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid8-(difluoromethoxy)-1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Ethyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acidDEISLDFBMJLVTC-UHFFFAOYSA-NCHEMBL103030SCHEMBL8735561DTXSID101653318-(difluoromethoxy)-1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
이름 더 보기
Aids060279Aids-0602791-Ethyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-[4-(2-methoxyphenyl )-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 82.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 807
물리화학적 성질
- 끓는 점
- 671.8 · 671.8±55.0 °C(Predicted)
- 밀도
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.23 · -0.23±0.20(Predicted)
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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