ethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

HCID 59447596

기본 정보

표준 SMILES
CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1-c1ccc(COc2ccc(-c3nn(C(=O)OC(C)(C)C)c(N)c3C#N)cc2)cc1
InChIKey
IUMXMAWPLYWEHD-UHFFFAOYSA-N
분자식
C51H54N8O7S2Si
평균 분자량
983.2 g/mol

이름 및 식별자

우선 이름
ethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate
IUPAC
ethyl 5-[4-[[4-[5-amino-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]phenoxy]methyl]phenyl]-2-[8-[1,3-benzothiazol-2-yl(2-trimethylsilylethoxymethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylate

이름 및 동의어

SCHEMBL2494586IUMXMAWPLYWEHD-UHFFFAOYSA-Nethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate

데이터베이스 식별자

PubChem CID
59447596

물성

구조 계산 물성

극성 표면적
245 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
15
회전 가능 결합 수
18
무거운 원자 수
69

관련 반응

19건

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