1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione

HCID 9828642
ノート反応
部分構造検索類似構造を探す

基本情報

標準SMILES
CCN1CCN(C(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)CC2)C(=O)C1=O
InChIKey
MNNXYABGSPITFF-LEWJYISDSA-N
分子式
C28H35N5O6
平均分子量
537.6 g/mol

名称と識別子

優先名称
1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione
IUPAC
1-[4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione

名称と別名

SCHEMBL2886857MNNXYABGSPITFF-LEWJYISDSA-N1(1-(4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl)-methanoyl)-4-ethyl-piperazine-2,3-dione1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione

データベース識別子

PubChem CID
9828642

物性

構造計算による物性

XLogP
2.1
極性表面積
112 Ų
水素結合供与体数
0
水素結合受容体数
7
回転可能結合数
5
重原子数
39

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