(2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)pyridin-3-yl)methyl Acetate

HCID 86683974

기본 정보

표준 SMILES
CC(=O)OCc1c(-c2cc(Nc3cc(C)n(C)n3)c(=O)n(C)n2)ccnc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
InChIKey
CSLUSAJJJSHIOY-UHFFFAOYSA-N
분자식
C30H31FN8O4
평균 분자량
586.6 g/mol

이름 및 식별자

우선 이름
(2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)pyridin-3-yl)methyl Acetate
IUPAC
[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-4-[5-[(1,5-dimethylpyrazol-3-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-3-pyridinyl]methyl acetate

이름 및 동의어

SCHEMBL14914877CSLUSAJJJSHIOY-UHFFFAOYSA-N(2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)pyridin-3-yl)methyl Acetate

데이터베이스 식별자

PubChem CID
86683974

물성

구조 계산 물성

XLogP
3.5
극성 표면적
134 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
43

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4건

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