基本情報
- 標準SMILES
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CN(CCn3ccc4oc(C)cc4c3=O)Cc3cccnc3CNC=O)ccc21- InChIKey
XABNTQRXAOHHFT-UHFFFAOYSA-N- 分子式
- C33H38N6O5
- 平均分子量
- 598.7 g/mol
名称と識別子
- 優先名称
- N-[3-({N-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]amino}methyl)pyridin-2-ylmethyl]formamide
- IUPAC
- N-[[3-[[(1-ethyl-3,3,5-trimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)methyl-[2-(2-methyl-4-oxofuro[3,2-c]pyridin-5-yl)ethyl]amino]methyl]-2-pyridinyl]methyl]formamide
名称と別名
SCHEMBL12080916XABNTQRXAOHHFT-UHFFFAOYSA-NN-[3-({N-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2, 3, 4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]amino}methyl)pyridin-2-ylmethyl]formamideN-[3-({N-(1-Ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-ylmethyl)-N-[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]amino}methyl)pyridin-2-ylmethyl]formamide
データベース識別子
- PubChem CID
- 86670481
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 10
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,100
関連反応
2 件
化合物ノート
読み込み中…