기본 정보
- CAS
421572-31-8- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cc(OC)ccc1OC- InChIKey
DRQARPILSTZDDQ-UHFFFAOYSA-N- 분자식
- C29H33NO7
- 평균 분자량
- 507.6 g/mol
- 단동위원소 질량
- 507.22570239
이름 및 식별자
- 우선 이름
- Ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H33NO7
- 분자량
- 507.57
이름 및 동의어
ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateChemDiv1_008920Oprea1_399265Oprea1_659751HMS612F10STK083041AKOS000537717AKOS021998606ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50253981AG-690/40749813
이름 더 보기
3-Quinolinecarboxylic acid, 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, ethyl ester
SR-01000480948SR-01000480948-1ethyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 912
물리화학적 성질
- 끓는 점
- 641.7 · 641.7±55.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.97 · 0.97±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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