1-[3,5-Dibromo-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone

HCID 21960059

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

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