Ethyl 4,5-dimethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
기본 정보
- CAS
445033-50-1- 표준 SMILES
CCCc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)c3ccccc3n2)cc1- InChIKey
MMYHEWHASBNQFD-UHFFFAOYSA-N- 분자식
- C28H28N2O3S
- 평균 분자량
- 472.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4,5-dimethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 4,5-dimethyl-2-({[2-(4-propylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
- 분자식
- C28H28N2O3S
- 분자량
- 472.6
이름 및 동의어
ethyl 4,5-dimethyl-2-({[2-(4-propylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylateAK-968/41021505STK422518AKOS003285382ethyl 4,5-dimethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylateST50938315ethyl 4,5-dimethyl-2-({[2-(4-propylphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylateethyl 4,5-dimethyl-2-{[2-(4-propylphenyl)(4-quinolyl)]carbonylamino}thiophene- 3-carboxylate3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[[2-(4-propylphenyl)-4-quinolinyl]carbonyl]amino]-, ethyl ester
데이터베이스 식별자
- CAS
445033-50-1
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 695
물리화학적 성질
- 끓는 점
- 586.5 · 586.5±50.0 °C(Predicted)
- 밀도
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.48 · 11.48±0.70(Predicted)
관련 반응
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