(RS)-1-[2-(5,6-Difluoro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone
기본 정보
- 표준 SMILES
Cc1nc(C(=O)N2CCCCC2Cc2nc3cc(F)c(F)cc3n2C)c(-c2ccc(F)cc2)s1- InChIKey
OGJKNQVGIMWQMS-UHFFFAOYSA-N- 분자식
- C25H23F3N4OS
- 평균 분자량
- 484.5 g/mol
- 단동위원소 질량
- 484.15446703
이름 및 식별자
- 우선 이름
- (RS)-1-[2-(5,6-Difluoro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone
- IUPAC
- [2-[(5,6-difluoro-1-methylbenzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
이름 및 동의어
SCHEMBL1258076OGJKNQVGIMWQMS-UHFFFAOYSA-N(RS)-1-[2-(5,6-Difluoro-1-methyl-1H -benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone(RS)-1-[2-(5,6-Difluoro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone
데이터베이스 식별자
- PubChem CID
- 17973693
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 726
관련 반응
6건
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