4,4-Diethoxy-3-{[6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboximidoyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

HCID 178467534

기본 정보

표준 SMILES
CCOC1(OCC)CCN(C(=O)OC(C)(C)C)CC1NC(=N)c1nn(C2CCCCO2)c2cc(-c3cc(F)c(OCOCC[Si](C)(C)C)cc3CC)ccc12
InChIKey
BMWVFJRDPJMEMY-UHFFFAOYSA-N
분자식
C41H62FN5O7Si
평균 분자량
784 g/mol
단동위원소 질량
783.44025403

이름 및 식별자

우선 이름
4,4-Diethoxy-3-{[6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboximidoyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[[amino-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(oxan-2-yl)indazol-3-yl]methylidene]amino]-4,4-diethoxypiperidine-1-carboxylate

이름 및 동의어

SCHEMBL14658516BMWVFJRDPJMEMY-UHFFFAOYSA-N4,4-Diethoxy-3-{[6-[2-ethyl-5-fluoro-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carboximidoyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
86676274

물성

구조 계산 물성

극성 표면적
132 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
17
무거운 원자 수
55

관련 반응

5건

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