기본 정보
- CAS
295804-14-7- 표준 SMILES
CCCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(OC)c1- InChIKey
URQLQQGENCGBLP-UHFFFAOYSA-N- 분자식
- C17H21BrN2O5
- 평균 분자량
- 413.3 g/mol
이름 및 식별자
- 우선 이름
- Butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 분자식
- C17H21BrN2O5
- 분자량
- 413.26
이름 및 동의어
butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatebutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylateSTK364104STK648846AKOS000653015AKOS005579982AKOS022065693butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateST50226073AG-690/36472042SR-01000367562SR-01000367562-1
이름 더 보기
5-Pyrimidinecarboxylic acid, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester
butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylatebutyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-1,3,6-trihydropyrim idine-5-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 96.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 539
물리화학적 성질
- 끓는 점
- 485.4 · 485.4±45.0 °C(Predicted)
- 밀도
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.34 · 8.34±0.40(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…