기본 정보
- CAS
493034-32-5- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(O)cc1- InChIKey
CLSAXZGVICRULU-UHFFFAOYSA-N- 분자식
- C27H29NO6
- 평균 분자량
- 463.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C27H29NO6
- 분자량
- 463.52
이름 및 동의어
ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_070113Oprea1_600341AKOS000509057AKOS024302985ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50012102AG-690/40751841ethyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pen tahydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2-methyl-5-oxo-, ethyl ester
데이터베이스 식별자
- CAS
493034-32-5
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 94.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 끓는 점
- 636.4 · 636.4±55.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.72 · 9.72±0.30(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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