(R)-4-(2-(5-isopropyl-6-methoxypyridin-3-ylamino)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

HCID 66612093

기본 정보

표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc([C@@H](C)N4CCN(S(C)(=O)=O)CC4)cnc3Nc3cnc(OC)c(C(C)C)c3)n2)cc1
InChIKey
PRBJDUXPOQGALC-MUUNZHRXSA-N
분자식
C41H51N9O5S
평균 분자량
782 g/mol
단동위원소 질량
781.37338693

이름 및 식별자

우선 이름
(R)-4-(2-(5-isopropyl-6-methoxypyridin-3-ylamino)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
IUPAC
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-5-propan-2-yl-3-pyridinyl)amino]-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

이름 및 동의어

SCHEMBL169147PRBJDUXPOQGALC-MUUNZHRXSA-N(R)-4-(2-(5-isopropyl-6-methoxypyridin-3-ylamino)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

데이터베이스 식별자

PubChem CID
66612093

물성

구조 계산 물성

XLogP
5.9
극성 표면적
156 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
14
회전 가능 결합 수
15
무거운 원자 수
56

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4건

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