2-((2-(benzyloxy)-4-methoxy-6-methylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one
기본 정보
- CAS
1844851-21-3- 표준 SMILES
COc1cc(C)nc(OCc2ccccc2)c1CN1CCc2c(Cl)cc(Br)c(Cl)c2C1=O- InChIKey
DWWIRJUBYWYGQA-UHFFFAOYSA-N- 분자식
- C24H21BrCl2N2O3
- 평균 분자량
- 536.2 g/mol
이름 및 식별자
- 우선 이름
- 2-((2-(benzyloxy)-4-methoxy-6-methylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 7-bromo-5,8-dichloro-2-[(4-methoxy-6-methyl-2-phenylmethoxy-3-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
- 영어명
- 7-bromo-5,8-dichloro-3,4-dihydro-2-[[4-methoxy-6-methyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-1(2H)-Isoquinolinone
- 분자식
- C24H21BrCl2N2O3
- 분자량
- 536.25
이름 및 동의어
1844851-21-32-((2-(benzyloxy)-4-methoxy-6-methylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one2-[[2-(Benzyloxy)-4-methoxy-6-methylpyridin-3-yl]methyl]-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-oneTQR979SCHEMBL17330415DWWIRJUBYWYGQA-UHFFFAOYSA-NMFCD32660929SY424201DS-022051C926792-[(2-benzyloxy-4-methoxy-6-methyl-3-pyridyl)methyl]-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1-one7-bromo-5,8-dichloro-3,4-dihydro-2-[[4-methoxy-6-methyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-1(2H)-Isoquinolinone
이름 더 보기
1(2H)-Isoquinolinone, 7-bromo-5,8-dichloro-3,4-dihydro-2-[[4-methoxy-6-methyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-
데이터베이스 식별자
- CAS
1844851-21-3
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 51.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 끓는 점
- 676.1 · 676.1±55.0 °C(Predicted)
- 밀도
- 1.487 · 1.487±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.23 · 5.23±0.30(Predicted)
관련 반응
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