기본 정보
- CAS
493034-26-7- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cc(Br)c(O)c(OC)c1- InChIKey
MMDHJBFILVAKNA-UHFFFAOYSA-N- 분자식
- C28H30BrNO7
- 평균 분자량
- 572.4 g/mol
- 단동위원소 질량
- 571.12056
이름 및 식별자
- 우선 이름
- ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C28H30BrNO7
- 분자량
- 572.4443
이름 및 동의어
ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_687448Oprea1_774638AKOS000509044AKOS024305476ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50260561AG-690/40751833ethyl 7-(3,4-dimethoxyphenyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5 -oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
493034-26-7- PubChem CID
- 3138002
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 933
화학 및 산업
공급사1 곳
SPECS[email protected]
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