기본 정보
- CAS
596129-50-9- 표준 SMILES
Cc1ccc(-c2cc(C(=O)NCC3CCN(C(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)CC3)c3ccccc3n2)cc1C- InChIKey
LUPKUHFTTMIOMQ-UHFFFAOYSA-N- 분자식
- C42H40N4O2
- 평균 분자량
- 632.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,4-dimethylphenyl)-N-[[1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]methyl]quinoline-4-carboxamide
- IUPAC
- 2-(3,4-dimethylphenyl)-N-[[1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]methyl]quinoline-4-carboxamide
- 영어명
- 2-(3,4-dimethylphenyl)-N-[(1-{[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}-4-piperidinyl)methyl]-4-quinolinecarboxamide
- 분자식
- C42H40N4O2
- 분자량
- 632.7926
이름 및 동의어
2-(3,4-dimethylphenyl)-N-[(1-{[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}-4-piperidinyl)methyl]-4-quinolinecarboxamideAK-968/41922737STK437752AKOS0033252322-(3,4-dimethylphenyl)-N-[[1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]methyl]quinoline-4-carboxamideST50829460[2-(3,4-dimethylphenyl)(4-quinolyl)]-N-[(1-{[2-(3,4-dimethylphenyl)(4-quinolyl )]carbonyl}(4-piperidyl))methyl]carboxamide2-(3,4-dimethylphenyl)-N-[(1-{[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}piperidin-4-yl)methyl]quinoline-4-carboxamide
데이터베이스 식별자
- CAS
596129-50-9
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 75.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,090
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