N'-(2-((3-Cyclopropyl-4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
基本情報
- 標準SMILES
CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(C3CC3)c2)c(O)c1=O- InChIKey
RSPAOYQUZFBJIU-UHFFFAOYSA-N- 分子式
- C26H30FN5O5
- 平均分子量
- 511.5 g/mol
名称と識別子
- 優先名称
- N'-(2-((3-Cyclopropyl-4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
- IUPAC
- N-[4-[(3-cyclopropyl-4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N',N'-dimethyloxamide
名称と別名
N'-(2-((3-Cyclopropyl-4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamideSCHEMBL52488RSPAOYQUZFBJIU-UHFFFAOYSA-NN-[(3-cyclopropyl-4-fluoro-phenyl)methylcarbamoyl-hydroxy-oxo-[?]yl]-N',N'-dimethyl-oxamide
データベース識別子
- PubChem CID
- 54747154
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 131 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 1,060
関連反応
1 件
化合物ノート
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