기본 정보
- 표준 SMILES
CC(=O)Nc1cccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1- InChIKey
NCNRXHBCJNHSAO-UHFFFAOYSA-N- 분자식
- C23H26FN3O3
- 평균 분자량
- 411.5 g/mol
이름 및 식별자
- 우선 이름
- N-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]acetamide
- IUPAC
- N-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
이름 및 동의어
CHEMBL4790288SCHEMBL1544882NCNRXHBCJNHSAO-UHFFFAOYSA-NBDBM50561104N-[3-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-piperidiny]propoxy]phenyl] acetamideN-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidiny]propoxy]phenyl]acetamideN-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidiny]propoxyl]phenyl]acetamideN-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]acetamideN-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxyl]phenyl]acetamideN-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)1- piperidiny]propoxyl]phenyl]acetamideN-[3-[3-[4-(6fluoro-1,2-benzisoxazol-3-yl)-1-piperidiny]propoxyl]phenyl]acetamideN-[3-[3-[4-(6fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]acetamide
데이터베이스 식별자
- PubChem CID
- 21959998
- ChEMBL
CHEMBL4790288
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 558
관련 반응
74건
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