N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-pyridin-3-ylethyl]-N'-(2,6-dimethylphenyl)ethanediamide
기본 정보
- CAS
903324-12-9- 표준 SMILES
Cc1cccc(C)c1NC(=O)C(=O)NCC(c1cccnc1)N1CCc2ccccc2C1- InChIKey
AAXSZEGPMGHIOX-UHFFFAOYSA-N- 분자식
- C26H28N4O2
- 평균 분자량
- 428.5 g/mol
- 단동위원소 질량
- 428.22122615
이름 및 식별자
- 우선 이름
- N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-pyridin-3-ylethyl]-N'-(2,6-dimethylphenyl)ethanediamide
- IUPAC
- N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-N'-(2,6-dimethylphenyl)oxamide
이름 및 동의어
903324-12-9N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-pyridin-3-ylethyl]-N'-(2,6-dimethylphenyl)ethanediamideN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-N'-(2,6-dimethylphenyl)oxamideN1-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(3-pyridinyl)ethyl]-N2-(2,6-dimethylphenyl)ethanediamideDTXSID701114817N~1~-[2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]-N~2~-(2,6-dimethylphenyl)ethanediamideAKOS004940322F2658-0143N-(2,6-dimethylphenyl)-N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamideN1-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl)-N2-(2,6-dimethylphenyl)oxalamide
데이터베이스 식별자
- CAS
903324-12-9- PubChem CID
- 43988655
- DTXSID
DTXSID701114817
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 74.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 631
관련 반응
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