Isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-phenyl-3-thiophenecarboxylate
기본 정보
- CAS
664992-70-5- 표준 SMILES
Cc1ccc(-c2cc(C(=O)Nc3scc(-c4ccccc4)c3C(=O)OC(C)C)c3ccccc3n2)c(C)c1- InChIKey
QNZHEVNFJOSCHG-UHFFFAOYSA-N- 분자식
- C32H28N2O3S
- 평균 분자량
- 520.6 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-phenyl-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate
- 영어명
- isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-phenyl-3-thiophenecarboxylate
- 분자식
- C32H28N2O3S
- 분자량
- 520.64
이름 및 동의어
isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-phenyl-3-thiophenecarboxylateOprea1_339751STK451913AKOS003368606propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylateST50942120AK-968/41927297isopropyl 2-(2-(2,4-dimethylphenyl)quinoline-4-carboxamido)-4-phenylthiophene-3-carboxylate664992-70-5methylethyl 2-{[2-(2,4-dimethylphenyl)(4-quinolyl)]carbonylamino}-4-phenylthio phene-3-carboxylatepropan-2-yl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-phenylthiophene-3-carboxylate3-Thiophenecarboxylic acid, 2-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl]amino]-4-phenyl-, 1-methylethyl ester
데이터베이스 식별자
- CAS
664992-70-5
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 815
물리화학적 성질
- 끓는 점
- 628.9 · 628.9±55.0 °C(Predicted)
- 밀도
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.33 · 11.33±0.70(Predicted)
관련 반응
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