기본 정보
- CAS
122454-68-6- 표준 SMILES
CSc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1- InChIKey
KRMOKGAZOYGDLF-UHFFFAOYSA-N- 분자식
- C18H17N3S
- 평균 분자량
- 307.4 g/mol
- 단동위원소 질량
- 307.11431854
이름 및 식별자
- 우선 이름
- SK&F 105561
- IUPAC
- 2-(4-methylsulfanylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
이름 및 동의어
SKF-105561SK&F 105561122454-68-6DTXSID00153621RefChem:183278DTXCID6076112CHEMBL1297615H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(4-(methylthio)phenyl)-3-(4-pyridinyl)-2-(4-methylsulfanylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazoleSCHEMBL7352490KRMOKGAZOYGDLF-UHFFFAOYSA-NBDBM50053432
이름 더 보기
6,7-Dihydro-2-(4-(methylsulfide)phenyl)-3-(4-pyridyl)-5(1H)-pyrrolo(1,2-a)imidazole2-(4-Methylsulfanyl-phenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole2-(4-methylsulfanylphenyl)-3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole2-(4-methylthiophenyl)-3-(4-pyridyl)-6,7-dihydro [5H]-pyrrolo[1,2 a]imidazole2-(4-Methylthiophenyl)-3-(4-pyridyl)-6,7-dihydro-[5H]-pyrrolo[1,2-a]imidazole2-(4-Methylthiophenyl)-3-(4-pyridyl)-6,7-dihydro[5H]-pyrrolo[1,2-a]imidazole2-[4-(Methylsulfanyl)phenyl]-3-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
데이터베이스 식별자
- CAS
122454-68-6- PubChem CID
- 129723
- DTXSID
DTXSID00153621- ChEMBL
CHEMBL129761- Nikkaji
- J413.037E
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 56 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 363
관련 반응
2건
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