기본 정보
- CAS
547748-36-7- 표준 SMILES
Cc1ccc(-c2cc(C(=O)N3CC(C)N(C(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)CC3C)c3ccccc3n2)cc1C- InChIKey
MPCUEMLCUFYKPE-UHFFFAOYSA-N- 분자식
- C42H40N4O2
- 평균 분자량
- 632.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,4-Dimethylphenyl)-4-[(4-{[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}-2,5-dimethyl-1-piperazinyl)carbonyl]quinoline
- IUPAC
- [4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(3,4-dimethylphenyl)quinolin-4-yl]methanone
- 영어명
- 2-(3,4-dimethylphenyl)-4-[(4-{[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}-2,5-dimethyl-1-piperazinyl)carbonyl]quinoline
- 분자식
- C42H40N4O2
- 분자량
- 632.7926
이름 및 동의어
2-(3,4-dimethylphenyl)-4-[(4-{[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}-2,5-dimethyl-1-piperazinyl)carbonyl]quinolineSTK435567AKOS003298470AKOS022167182[4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(3,4-dimethylphenyl)quinolin-4-yl]methanoneST50923362AK-968/12863037(2,5-dimethylpiperazine-1,4-diyl)bis{[2-(3,4-dimethylphenyl)quinolin-4-yl]methanone}2-(3,4-dimethylphenyl)(4-quinolyl) 4-{[2-(3,4-dimethylphenyl)(4-quinolyl)]carb onyl}-2,5-dimethylpiperazinyl ketone
데이터베이스 식별자
- CAS
547748-36-7
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,040
화학 및 산업
공급사1 곳
SPECS[email protected]
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