Tert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperazine-1-carboxylate

HCID 66600044

기본 정보

표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIKey
PWZISLOFETZTNW-UHFFFAOYSA-N
분자식
C41H48FN9O5
평균 분자량
765.9 g/mol
단동위원소 질량
765.37624383

이름 및 식별자

우선 이름
Tert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL114900PWZISLOFETZTNW-UHFFFAOYSA-Ntert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperazine-1-carboxylate

데이터베이스 식별자

PubChem CID
66600044

물성

구조 계산 물성

XLogP
6.1
극성 표면적
140 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
14
회전 가능 결합 수
15
무거운 원자 수
56

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12건

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