基本情報
- 標準SMILES
O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3cnccc3NC2=O)CC1- InChIKey
VINJYNHLDRNZMN-SANMLTNESA-N- 分子式
- C30H28F3N7O3
- 平均分子量
- 591.6 g/mol
名称と識別子
- 優先名称
- (R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4H)-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
- IUPAC
- 4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
名称と別名
CHEMBL377252(R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4H)-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamideSCHEMBL3163689BDBM501925544(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3(2h)-yl)-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3(2h)-yl)-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]piperidine-1 carboxamide
データベース識別子
- PubChem CID
- 11330786
- ChEMBL
CHEMBL377252
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 1,070
関連反応
1 件
化合物ノート
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