4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
기본 정보
- CAS
494196-47-3- 표준 SMILES
CCOc1cc(C2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O- InChIKey
UBVSOTFFPHYZSG-UHFFFAOYSA-N- 분자식
- C28H31BrN2O4
- 평균 분자량
- 539.5 g/mol
이름 및 식별자
- 우선 이름
- 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
- IUPAC
- 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
- 영어명
- 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- 분자식
- C28H31BrN2O4
- 분자량
- 539.46074
이름 및 동의어
4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideOprea1_017613Oprea1_639970AKOS000509581AKOS0243058134-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamideST50266098AG-690/40754968[4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo(3-1,4,6,7,8-pentah ydroquinolyl)]-N-(2-methylphenyl)carboxamide
데이터베이스 식별자
- CAS
494196-47-3
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 911
관련 반응
0건
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