N-(1-Benzyl-4,4-diethoxy-piperidin-3-yl)-6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboxamidine

HCID 178467533

기본 정보

표준 SMILES
CCOC1(OCC)CCN(Cc2ccccc2)CC1NC(=N)c1nn(C2CCCCO2)c2cc(-c3cc(F)c(OCOCC[Si](C)(C)C)cc3CC)ccc12
InChIKey
PVESLLODDQGKTD-UHFFFAOYSA-N
분자식
C43H60FN5O5Si
평균 분자량
774 g/mol
단동위원소 질량
773.43477473

이름 및 식별자

우선 이름
N-(1-Benzyl-4,4-diethoxy-piperidin-3-yl)-6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboxamidine
IUPAC
N'-(1-benzyl-4,4-diethoxypiperidin-3-yl)-6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(oxan-2-yl)indazole-3-carboximidamide

이름 및 동의어

SCHEMBL14658474SCHEMBL14658475PVESLLODDQGKTD-UHFFFAOYSA-NN-(1-Benzyl-4,4-diethoxy-piperidin-3-yl)-6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboxamidine

데이터베이스 식별자

PubChem CID
86676272

물성

구조 계산 물성

극성 표면적
106 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
17
무거운 원자 수
55

관련 반응

6건

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