기본 정보
- CAS
312527-14-3- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)C3c2cc3c(cc2Br)OCO3)cc1- InChIKey
QAITUAFBLRIOCC-UHFFFAOYSA-N- 분자식
- C29H30BrNO6
- 평균 분자량
- 568.5 g/mol
- 단동위원소 질량
- 567.12565
이름 및 식별자
- 우선 이름
- 2-Methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H30BrNO6
- 분자량
- 568.4556
이름 및 동의어
2-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateisobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_274471Oprea1_279183STK363748AKOS000660905AKOS0219895402-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST074592EU-0004282UNM000000542601AG-205/12538061
이름 더 보기
SR-01000426511SR-01000426511-12-methylpropyl 4-(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))-7-(4-methoxyphenyl)-2 -methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate2-METHYLPROPYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-7-(4-METHOXYPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 952
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…