기본 정보
- CAS
478079-19-5- 표준 SMILES
COc1ccc(CCn2ccc(O)c(Cc3ccc(Cl)cc3Cl)c2=O)cc1OC- InChIKey
GIEKIADPXASALH-UHFFFAOYSA-N- 분자식
- C22H21Cl2NO4
- 평균 분자량
- 434.3 g/mol
이름 및 식별자
- 우선 이름
- 3-(2,4-dichlorobenzyl)-1-(3,4-dimethoxyphenethyl)-4-hydroxy-2(1H)-pyridinone
- IUPAC
- 3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyridin-2-one
- 영어명
- 3-(2,4-Dichlorobenzyl)-1-(3,4-dimethoxyphenethyl)-4-hydroxy-2(1H)-pyridinone
- 분자식
- C22H21Cl2NO4
- 분자량
- 434.31
이름 및 동의어
478079-19-53-(2,4-dichlorobenzyl)-1-(3,4-dimethoxyphenethyl)-4-hydroxy-2(1H)-pyridinoneMLS000721551SMR0003358593-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1,2-dihydropyridin-2-one3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyridin-2-oneOprea1_673303CHEMBL1580063BDBM51359cid_1485250HMS2701D20AKOS005101498
이름 더 보기
2(1H)-Pyridinone, 3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-
3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxypyridin-4-one7R-08243-(2,4-dichlorobenzyl)-1-homoveratryl-2-hydroxy-4-pyridone3-(2,4-Dichlorobenzyl)-1-(3,4-dimethoxyphenethyl)-4-hydroxypyridin-2(1H)-one3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-pyridinone3-[(2,4-dichlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-pyridin-4-one
데이터베이스 식별자
- CAS
478079-19-5- ChEMBL
CHEMBL1580063
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 끓는 점
- 602.8 · 602.8±55.0 °C(Predicted)
- 밀도
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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