기본 정보
- CAS
353784-52-8- 표준 SMILES
CCc1c(C)sc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)c1C(=O)OC(C)C- InChIKey
VVZAAAKHZANGLZ-UHFFFAOYSA-N- 분자식
- C28H28N2O4S
- 평균 분자량
- 488.6 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 4-ethyl-2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
- 영어명
- isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
- 분자식
- C28H28N2O4S
- 분자량
- 488.6
이름 및 동의어
isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylateOprea1_112746STK421826AKOS003236797propan-2-yl 4-ethyl-2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylateAK-968/11841216353784-52-8ISOPROPYL 4-ETHYL-2-({[2-(3-METHOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)-5-METHYL-3-THIOPHENECARBOXYLATEisopropyl 4-ethyl-2-(2-(3-methoxyphenyl)quinoline-4-carboxamido)-5-methylthiophene-3-carboxylatepropan-2-yl 4-ethyl-2-({[2-(3-methoxyphenyl)quinolin-4-yl]carbonyl}amino)-5-methylthiophene-3-carboxylate3-Thiophenecarboxylic acid, 4-ethyl-2-[[[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl]amino]-5-methyl-, 1-methylethyl ester
데이터베이스 식별자
- CAS
353784-52-8
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 734
물리화학적 성질
- 끓는 점
- 609.3 · 609.3±55.0 °C(Predicted)
- 밀도
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.47 · 11.47±0.70(Predicted)
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