기본 정보
- CAS
110872-01-0- 표준 SMILES
CCOC(=O)Nc1c(F)c(N2CCNC(C)C2)c(F)c2c1c(=O)c(C(=O)OCC)cn2C1CC1- InChIKey
HQUWYKFIPTWUPH-UHFFFAOYSA-N- 분자식
- C23H28F2N4O5
- 평균 분자량
- 478.5 g/mol
- 단동위원소 질량
- 478.20277633
이름 및 식별자
- 우선 이름
- Ethyl 1-cyclopropyl-5-ethoxycarbonylamino-6,8-difluoro-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclopropyl-5-(ethoxycarbonylamino)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
- 영어명
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-5-[(ethoxycarbonyl)aMino]-6,8-difluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-, ethyl ester
- 분자식
- C23H28F2N4O5
- 분자량
- 478.49
이름 및 동의어
SCHEMBL9876052HQUWYKFIPTWUPH-UHFFFAOYSA-Nethyl 1-cyclopropyl-5-ethoxycarbonylamino-6,8-difluoro-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylateEthyl 1-cyclopropyl-5-[(ethoxycarbonyl)amino]-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate3-Quinolinecarboxylic acid, 1-cyclopropyl-5-[(ethoxycarbonyl)aMino]-6,8-difluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-, ethyl ester
데이터베이스 식별자
- CAS
110872-01-0- PubChem CID
- 21279709
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 838
물리화학적 성질
- 끓는 점
- 604.2 · 604.2±55.0 °C(Predicted)
- 밀도
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.22 · 10.22±0.20(Predicted)
관련 반응
3건
화합물 노트
불러오는 중…