Carbonic acid 5-{(R)-(4-{amino[2-methylallyloxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2-fluoro-1,1-dimethylethyl ester

HCID 86677424
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기본 정보

표준 SMILES
C=C(C)COC(=O)N=C(N)c1ccc(N[C@@H](c2nc(OCOC(=O)OC(C)(C)CF)n(-c3ncccn3)n2)c2cc(OC)cc(OCCO)c2F)cc1
InChIKey
OYYRLRKBWATLNF-HHHXNRCGSA-N
분자식
C34H38F2N8O9
평균 분자량
740.7 g/mol

이름 및 식별자

우선 이름
Carbonic acid 5-{(R)-(4-{amino[2-methylallyloxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2-fluoro-1,1-dimethylethyl ester
IUPAC
[5-[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-[4-[N'-(2-methylprop-2-enoxycarbonyl)carbamimidoyl]anilino]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl (1-fluoro-2-methylpropan-2-yl) carbonate

이름 및 동의어

OYYRLRKBWATLNF-HHHXNRCGSA-Ncarbonic acid 5-{(R)-(4-{amino-[2-methylallyloxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2-fluoro-1,1-dimethylethyl esterCarbonic acid 5-{(R)-(4-{amino[2-methylallyloxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2-fluoro-1,1-dimethylethyl ester

데이터베이스 식별자

PubChem CID
86677424

물성

구조 계산 물성

XLogP
5.7
극성 표면적
217 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
16
회전 가능 결합 수
20
무거운 원자 수
53

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