2-(1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-n,n-dimethylacetamide
기본 정보
- CAS
178554-19-3- 표준 SMILES
CCCCc1nc(C)c(CC(=O)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
YJCTXBGUUHQWBW-UHFFFAOYSA-N- 분자식
- C27H31N7O2
- 평균 분자량
- 485.6 g/mol
- 단동위원소 질량
- 485.25392326
이름 및 식별자
- 우선 이름
- 2-(1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-n,n-dimethylacetamide
- IUPAC
- 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylacetamide
- 영어명
- 2-(1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)Methyl)-2-butyl-4-Methyl-6-oxo-1,6-dihydropyriMidin-5-yl) -N,N-diMethylacetaMide
- 분자식
- C27H31N7O2
- 분자량
- 485.58
이름 및 동의어
178554-19-32-(1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl) -n,n-dimethylacetamide5-Despyrimidineethanethioamide-5-pyrimidineacetamide Fimasartan2-(1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-n,n-dimethylacetamide2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylacetamideCHEMBL19511262-(2-butyl-4-methyl-6-oxo-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamideFimasartan Impurity 3Desthioxo Oxo FimasartanFimasartan M5RJF655ETQ2SCHEMBL7820489
이름 더 보기
Fimasartan-4Fimasartan Impurity 4Fimasartan Dimethylacetamide AnalogFimasartan Potassium Trihydrate Impurity 042-Butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-pyrimidineacetamide
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 847
물리화학적 성질
- 끓는 점
- 705.9 · 705.9±70.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.16 · 4.16±0.10(Predicted)
- InChIKey
- YJCTXBGUUHQWBW-UHFFFAOYSA-N
- SMILES
- C1(CCCC)N(CC2=CC=C(C3=CC=CC=C3C3=NNN=N3)C=C2)C(=O)C(CC(N(C)C)=O)=C(C)N=1
화학 및 산업
응용 분야
용도5-Despyrimidineethanethioamide-5-pyrimidineacetamide Fimasartan is a Fimasartan impurity, and also functions as a reagent in the synthesis and in the antihypertensive activity of pyrimidin-4(3H)-one derivative as losartan analogue
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