2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(1-methyl-5-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl acetate

HCID 66742604

기본 정보

표준 SMILES
CC(=O)OCc1c(-c2cc(Nc3ccc(C4CCN(C)CC4)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
InChIKey
XXCCNIJCGOVDGM-UHFFFAOYSA-N
분자식
C37H40FN7O4
평균 분자량
665.8 g/mol

이름 및 식별자

우선 이름
2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(1-methyl-5-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl acetate
IUPAC
[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]methyl acetate

이름 및 동의어

SCHEMBL609728XXCCNIJCGOVDGM-UHFFFAOYSA-N2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(1-methyl-5-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl acetate

데이터베이스 식별자

PubChem CID
66742604

물성

구조 계산 물성

XLogP
5
극성 표면적
120 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
9
무거운 원자 수
49

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4건

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