(R)-8-Methyl-5-(4-nitrophenyl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine (HCID 69436975)

基本情報

標準SMILES: Cc1nnc(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3C[C@H]2C)OCO4)o1
InChIKey: YOLHTXQIBMVAPP-LLVKDONJSA-N
分子式: C20H17N5O5
平均分子量: 407.4 g/mol

名称と識別子

優先名称: (R)-8-Methyl-5-(4-nitrophenyl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine
IUPAC: (8R)-8-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine

名称と別名

SCHEMBL5427019YOLHTXQIBMVAPP-LLVKDONJSA-N(R)-8-Methyl-5-(4-nitrophenyl)-7-(5-methyl- 1,3,4-oxadiazol-2-yl)-8.9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(R)-8-Methyl-5-(4-nitrophenyl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

データベース識別子

PubChem CID: 69436975

物性

構造計算による物性

XLogP: 4.1
極性表面積: 119 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 2
重原子数: 30
形式電荷: 0
複雑度: 679

化合物ノート

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