1-[4-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methyl-2-nitrophenyl)urea
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기본 정보
- CAS
1024474-23-4- 표준 SMILES
COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc1)=NCC2- InChIKey
WFAWHAHZOIOTGE-UHFFFAOYSA-N- 분자식
- C26H26N4O5
- 평균 분자량
- 474.5 g/mol
- 단동위원소 질량
- 474.19031994
이름 및 식별자
- 우선 이름
- 1-[4-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methyl-2-nitrophenyl)urea
- IUPAC
- 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methyl-2-nitrophenyl)urea
- 영어명
- 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-METHYL-2-NITROPHENYL)UREA
- 분자식
- C26H26N4O5
- 분자량
- 474.51
이름 및 동의어
1024474-23-41-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-METHYL-2-NITROPHENYL)UREA1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methyl-2-nitrophenyl)urea1-(4-((6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl)phenyl)-3-(4-methyl-2-nitrophenyl)urea1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}-3-(4-methyl-2-nitrophenyl)ureaMFCD03839378ZQB47423AKOS022170427MS-93831-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methyl-2-nitro-phenyl)ureaUrea, N-[4-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]phenyl]-N'-(4-methyl-2-nitrophenyl)-
데이터베이스 식별자
- CAS
1024474-23-4- PubChem CID
- 5111669
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 763
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