기본 정보
- CAS
167375-28-2- 표준 SMILES
CCCc1nc2cc[nH]n2c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
NHHVQPWNYREWJP-UHFFFAOYSA-N- 분자식
- C23H21N3O3
- 평균 분자량
- 387.4 g/mol
- 단동위원소 질량
- 387.15829154
이름 및 식별자
- 우선 이름
- 4'-((7-Oxo-5-propyl-1,7-dihydropyrazolo(1,5-a)pyrimidin-6-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
- IUPAC
- 2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid
- 영어명
- 6-((2'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine
- 분자식
- C23H21N3O3
- 분자량
- 387.43
이름 및 동의어
167375-28-2DTXSID909373164'-((7-Oxo-5-propyl-1,7-dihydropyrazolo(1,5-a)pyrimidin-6-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid4'-[(7-Oxo-5-propyl-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methyl][1,1'-biphenyl]-2-carboxylic acidRefChem:1069019DTXCID8013658856-((2'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine4'-((7-Hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid4'-({7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)-[1,1'-biphenyl]-2-carboxylic acid2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid(1,1'-Biphenyl)-2-carboxylic acid, 4'-((7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidin-6-yl)methyl)-SCHEMBL9255952
이름 더 보기
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-
6-((2/'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine4'-((7-Hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl)-[1,1'-biphenyl]-2-carboxylicacid
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 82 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 746
물리화학적 성질
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.83 · 3.83±0.36(Predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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