기본 정보
- CAS
871224-63-4- 표준 SMILES
CNC(=O)C(c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1- InChIKey
DKMACHNQISHMDN-BXXZMZEQSA-N- 분자식
- C29H31F3N2O3
- 평균 분자량
- 512.6 g/mol
이름 및 식별자
- 우선 이름
- C29H31F3N2O3
- IUPAC
- 2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide
- 영어명
- (R)-2-((S)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide
- 분자식
- C29H31F3N2O3
- 분자량
- 512.56
이름 및 동의어
C29H31F3N2O32-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamideSCHEMBL3088054DKMACHNQISHMDN-BXXZMZEQSA-N1266467-63-3(1S)-3,4-dihydro-6,7-dimethoxy-N-methyl-a-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-Isoquinolineacetamide(R)-2-((S)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide2(1H)-Isoquinolineacetamide, 3,4-dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (1S)-(R)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride
데이터베이스 식별자
- CAS
871224-63-4
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 50.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 722
물리화학적 성질
- 끓는 점
- 620.4 · 620.4±55.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.04 · 15.04±0.46(Predicted)
화학 및 산업
공급사2 곳
苏州岚云医药科技有限公司2332782371 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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