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

HCID 66611873

기본 정보

표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc([C@@H](C)N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)cnc3F)n2)cc1
InChIKey
FMEDMLSZPHTSAQ-LOSJGSFVSA-N
분자식
C37H46FN7O4
평균 분자량
671.8 g/mol

이름 및 식별자

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

이름 및 동의어

SCHEMBL168319FMEDMLSZPHTSAQ-LOSJGSFVSA-Ntert-butyl (3S)-4-((1R)-1-(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylatetert-butyl(3S)-4-((1R)-1-(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate

데이터베이스 식별자

PubChem CID
66611873

물성

구조 계산 물성

XLogP
6.1
극성 표면적
106 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
49

관련 반응

4건

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