tert-butyl (3S)-4-((1R)-1-(5-(6-(bis(4-methoxybenzyl)amino)-2-methyl-4-pyrimidinyl)-6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate

HCID 68517227

기본 정보

표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc([C@@H](C)N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)cnc3F)nc(C)n2)cc1
InChIKey
RHWYXEWYBBYKPP-IZZNHLLZSA-N
분자식
C38H47FN6O4
평균 분자량
670.8 g/mol
단동위원소 질량
670.36428216

이름 및 식별자

우선 이름
tert-butyl (3S)-4-((1R)-1-(5-(6-(bis(4-methoxybenzyl)amino)-2-methyl-4-pyrimidinyl)-6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate
IUPAC
tert-butyl (3S)-4-[(1R)-1-[5-[6-[bis[(4-methoxyphenyl)methyl]amino]-2-methylpyrimidin-4-yl]-6-fluoro-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate

이름 및 동의어

SCHEMBL3114966RHWYXEWYBBYKPP-IZZNHLLZSA-Ntert-butyl (3S)-4-((1R)-1-(5-(6-(bis(4-methoxybenzyl)amino)-2-methyl-4-pyrimidinyl)-6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate

데이터베이스 식별자

PubChem CID
68517227

물성

구조 계산 물성

XLogP
6.3
극성 표면적
93.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
49

관련 반응

4건

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