기본 정보
- 표준 SMILES
CC(=O)c1cc(Br)c(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(Br)c1- InChIKey
SYMHPSNJCYVKDG-UHFFFAOYSA-N- 분자식
- C23H23Br2FN2O3
- 평균 분자량
- 554.2 g/mol
이름 및 식별자
- 우선 이름
- 1-[3,5-Dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone
- IUPAC
- 1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
이름 및 동의어
SCHEMBL1545187SYMHPSNJCYVKDG-UHFFFAOYSA-N1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-piperidinyl]propoxy]-phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol -3-yl)-1-piperidinyl]propoxy]phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperdinyl]propoxy]phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxyl]phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-l-piperidinyl]propoxyl]-phenyl]ethanone1-[3,5-dibromo-4-[3-[4-(6-fluoro-1,2-benzoisoxazol-3-yl)-1-piperidinyl)propoxy]phenyl]ethanone1-[3,5-dibromo-4-[3[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-phenyl]ethanone
이름 더 보기
1-[3,5dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone
데이터베이스 식별자
- PubChem CID
- 21960059
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 55.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 595
관련 반응
77건
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