(R)-N'-(8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-carbothioyl)-acetic hydrazide

HCID 86593813

基本情報

標準SMILES: CC(=O)NNC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2C[C@H]1C)OCO3
InChIKey: YLJSVCDEUMMVJJ-LLVKDONJSA-N
分子式: C20H19N5O5S
平均分子量: 441.5 g/mol

名称と識別子

優先名称: (R)-N'-(8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-carbothioyl)-acetic hydrazide
IUPAC: N'-[(8R)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carbothioyl]acetohydrazide

名称と別名

SCHEMBL5421471YLJSVCDEUMMVJJ-LLVKDONJSA-N(R)-N'-(8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-carbothioyl)-acetic hydrazide(R)-N'-{8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbothioyl}-acetic hydrazide

データベース識別子

PubChem CID: 86593813

物性

構造計算による物性

XLogP: 3.2
極性表面積: 153 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 31
形式電荷: 0
複雑度: 751