ethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxyprop-1-ynyl)thiazole-4-carboxylate

HCID 59447560

기본 정보

표준 SMILES
CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCO
InChIKey
RJBQRIGCLJIRNC-UHFFFAOYSA-N
분자식
C32H36N4O5S2Si
평균 분자량
648.9 g/mol
단동위원소 질량
648.18963914

이름 및 식별자

우선 이름
ethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxyprop-1-ynyl)thiazole-4-carboxylate
IUPAC
ethyl 2-[8-[1,3-benzothiazol-2-yl(2-trimethylsilylethoxymethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole-4-carboxylate

이름 및 동의어

SCHEMBL2497198RJBQRIGCLJIRNC-UHFFFAOYSA-Nethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxyprop-1-ynyl)thiazole-4-carboxylate

데이터베이스 식별자

PubChem CID
59447560

물성

구조 계산 물성

극성 표면적
162 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
44

관련 반응

5건

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