기본 정보
- 표준 SMILES
CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O- InChIKey
QRKGMXIQKJKKBL-UHFFFAOYSA-N- 분자식
- C16H13F4NO4
- 평균 분자량
- 359.27 g/mol
- 단동위원소 질량
- 359.07807054
이름 및 식별자
- 우선 이름
- Ethyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
이름 및 동의어
128426-94-8Ethyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylateethyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoroMethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-, ethylSCHEMBL1984659ethyl 1-cyclopropyl-8-difluoromethoxy-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylateethyl 1-cyclopropyl-6,7-difluoro-8-difluoromethoxyl-1,4-dihydro-4-oxoquinoline-3-carboxylateEthyl1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 15023786
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 580
관련 반응
11건
연결된 노트
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