1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(2-(tert-butyl)-6-methylphenyl)urea
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기본 정보
- CAS
1023029-76-6- 표준 SMILES
COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3c(C)cccc3C(C)(C)C)cc1)=NCC2- InChIKey
ZBHOUZOEFKZXDJ-UHFFFAOYSA-N- 분자식
- C30H35N3O3
- 평균 분자량
- 485.6 g/mol
- 단동위원소 질량
- 485.26784199
이름 및 식별자
- 우선 이름
- 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(2-(tert-butyl)-6-methylphenyl)urea
- IUPAC
- 1-(2-tert-butyl-6-methylphenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
- 영어명
- 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(2-(TERT-BUTYL)-6-METHYLPHENYL)UREA
- 분자식
- C30H35N3O3
- 분자량
- 485.62
이름 및 동의어
1023029-76-61-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(2-(TERT-BUTYL)-6-METHYLPHENYL)UREA1-(2-tert-butyl-6-methylphenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]ureaMFCD03839424YQB02976AKOS022170029MS-94291-(2-tert-butyl-6-methyl-phenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea3-(2-tert-butyl-6-methylphenyl)-1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}ureaUrea, N-[4-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]phenyl]-N'-[2-(1,1-dimethylethyl)-6-methylphenyl]-
데이터베이스 식별자
- CAS
1023029-76-6- PubChem CID
- 3327393
물성
구조 계산 물성보충 중
- XLogP
- 5.8
- 극성 표면적
- 72 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 755
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