기본 정보
- CAS
338406-15-8- 표준 SMILES
CCOC(=O)c1cc2c(=O)n(CCOC(=O)c3cccc(C(F)(F)F)c3)ccc2nc1C- InChIKey
ZYGUCVMCGILPOG-UHFFFAOYSA-N- 분자식
- C22H19F3N2O5
- 평균 분자량
- 448.4 g/mol
- 단동위원소 질량
- 448.1246062
이름 및 식별자
- 우선 이름
- Ethyl 2-methyl-5-oxo-6-[2-[3-(trifluoromethyl)benzoyl]oxyethyl]-1,6-naphthyridine-3-carboxylate
- IUPAC
- ethyl 2-methyl-5-oxo-6-[2-[3-(trifluoromethyl)benzoyl]oxyethyl]-1,6-naphthyridine-3-carboxylate
- 영어명
- ethyl 2-methyl-5-oxo-6-(2-{[3-(trifluoromethyl)benzoyl]oxy}ethyl)-5,6-dihydro[1,6]naphthyridine-3-carboxylate
- 분자식
- C22H19F3N2O5
- 분자량
- 448.39
이름 및 동의어
338406-15-8Ethyl 2-methyl-5-oxo-6-[2-[3-(trifluoromethyl)benzoyl]oxyethyl]-1,6-naphthyridine-3-carboxylateethyl 2-methyl-5-oxo-6-{2-[3-(trifluoromethyl)benzoyloxy]ethyl}-5,6-dihydro-1,6-naphthyridine-3-carboxylateethyl 2-methyl-5-oxo-6-(2-{[3-(trifluoromethyl)benzoyl]oxy}ethyl)-5,6-dihydro[1,6]naphthyridine-3-carboxylateAKOS0050874613F-908ethyl2-methyl-5-oxo-6-{2-[3-(trifluoromethyl)benzoyloxy]ethyl}-5,6-dihydro-1,6-naphthyridine-3-carboxylate1,6-Naphthyridine-3-carboxylic acid, 5,6-dihydro-2-methyl-5-oxo-6-[2-[[3-(trifluoromethyl)benzoyl]oxy]ethyl]-, ethyl ester
데이터베이스 식별자
- CAS
338406-15-8- PubChem CID
- 1473706
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 끓는 점
- 589.1 · 589.1±50.0 °C(Predicted)
- 밀도
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.76 · 1.76±0.20(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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