기본 정보
- CAS
58517-90-1- 표준 SMILES
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)NC)cc1NC(=O)C(C(=O)C(C)(C)C)n1cncc1C(=O)OC- InChIKey
GIFUEPRVNOQDJA-UHFFFAOYSA-N- 분자식
- C35H56N4O7S
- 평균 분자량
- 676.9 g/mol
- 단동위원소 질량
- 676.38697131
이름 및 식별자
- 우선 이름
- Methyl 1-(1-(((2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylate
- IUPAC
- methyl 3-[1-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]imidazole-4-carboxylate
- 영어명
- methyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate
- 분자식
- C35H56N4O7S
- 분자량
- 676.91
이름 및 동의어
58517-90-1EINECS 261-304-9Methyl 1-(1-(((2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylateDTXSID60974071GIFUEPRVNOQDJA-UHFFFAOYSA-NNS00054101N-[2-(Hexadecyloxy)-5-(methylsulfamoyl)phenyl]-2-[5-(methoxycarbonyl)-1H-imidazol-1-yl]-4,4-dimethyl-3-oxopentanimidic acidmethyl 3-[1-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]imidazole-4-carboxylatemethyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate1-[1-[[[2-(Hexadecyloxy)-5-[(methylamino)sulfonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylic acid methyl ester1H-Imidazole-5-carboxylic acid, 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulfonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-, methyl ester
데이터베이스 식별자
- CAS
58517-90-1
물성
구조 계산 물성
- XLogP
- 9.8
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…