기본 정보
- 표준 SMILES
COc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1- InChIKey
FADILOYYOVHXOZ-UHFFFAOYSA-N- 분자식
- C22H25FN2O4
- 평균 분자량
- 400.4 g/mol
이름 및 식별자
- 우선 이름
- 4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether
- IUPAC
- 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
이름 및 동의어
SCHEMBL1545448FADILOYYOVHXOZ-UHFFFAOYSA-N4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl],2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydrox-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether
데이터베이스 식별자
- PubChem CID
- 18467257
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 497
관련 반응
49건
연결된 노트
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