기본 정보
- CAS
952653-69-9- 표준 SMILES
CCOC(=O)C1C(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2N(C2CC2)C1C- InChIKey
COEJPJVAIKOGFY-UHFFFAOYSA-N- 분자식
- C25H34FN3O5
- 평균 분자량
- 475.6 g/mol
- 단동위원소 질량
- 475.24824936
이름 및 식별자
- 우선 이름
- Ethyl 7-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-2-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclopropyl-6-fluoro-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-2,3-dihydroquinoline-3-carboxylate
- 영어명
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[(1,1-diMethylethoxy)carbonyl]-1-piperazinyl]-6-fluoro-1,2,3,4-tetrahydro-2-Methyl-4-oxo-, ethyl ester
- 분자식
- C25H34FN3O5
- 분자량
- 475.55
이름 및 동의어
952653-69-9Ethyl 7-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-2-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylateethyl 1-cyclopropyl-6-fluoro-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-2,3-dihydroquinoline-3-carboxylateethyl 7-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-2-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylateEthyl7-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-2-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylateEthyl 7-[4-(tert-butoxycarbonyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-2-methyl-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylateDTXSID30856097DB-3430433-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[(1,1-diMethylethoxy)carbonyl]-1-piperazinyl]-6-fluoro-1,2,3,4-tetrahydro-2-Methyl-4-oxo-, ethyl ester
데이터베이스 식별자
- CAS
952653-69-9- PubChem CID
- 71464332
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 79.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 790
물리화학적 성질
- 끓는 점
- 606.9 · 606.9±55.0 °C(Predicted)
- 밀도
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.41 · 11.41±0.40(Predicted)
화학 및 산업
공급사1 곳
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
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