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

HCID 10047113

기본 정보

표준 SMILES
COc1cc(C#N)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIKey
DTBWJCOEWPYXNX-UHFFFAOYSA-N
분자식
C23H24FN3O3
평균 분자량
409.5 g/mol

이름 및 식별자

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

이름 및 동의어

CHEMBL14509SCHEMBL1545154DTBWJCOEWPYXNX-UHFFFAOYSA-NBDBM500340744-[3-[4-(-6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzonitrile4-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxybenzonitrile4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperdinyl]propoxy]-3-methoxybenzonitrile4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxybenzonitrile4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3methoxybenzonitrile4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzonitrile4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-benzonitrile

데이터베이스 식별자

PubChem CID
10047113
ChEMBL
CHEMBL14509

물성

구조 계산 물성

XLogP
4.1
극성 표면적
71.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
30

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