4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]propoxy]-3-methoxybenzamide

HCID 10455211

기본 정보

표준 SMILES
COc1cc(C(N)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIKey
JVYDZVFRGFPGPM-UHFFFAOYSA-N
분자식
C23H26FN3O4
평균 분자량
427.5 g/mol
단동위원소 질량
427.19073448

이름 및 식별자

우선 이름
4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]propoxy]-3-methoxybenzamide
IUPAC
4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxybenzamide

이름 및 동의어

CHEMBL273307SCHEMBL1545315JVYDZVFRGFPGPM-UHFFFAOYSA-NBDBM500340404-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzamide4-[3-[4-(6-fluoro-1,2 benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzamide4-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy- benzamide4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1 -piperidinyl]-propoxy]-3-methoxybenzamide4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-benzamide4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzamide4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]propoxy]-3-methoxybenzamide4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-benzamide

데이터베이스 식별자

PubChem CID
10455211
ChEMBL
CHEMBL273307

물성

구조 계산 물성

XLogP
3.3
극성 표면적
90.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
31

관련 반응

75건

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