基本情報
- 標準SMILES
C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1- InChIKey
DTYAFBJXWWLRMA-QMHKHESXSA-N- 分子式
- C25H28F3N3O3
- 平均分子量
- 475.5 g/mol
概要
an alpha(1A) adrenergic receptor antagonist; structure in first source
名称と識別子
- 優先名称
- Snap-7915
- IUPAC
- (4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
名称と別名
SNAP-7915RefChem:931884SNAP 7915CHEMBL96467(4S,5S)-4-(3,4-difluorophenyl)-N-(3-(4-(4-fluorophenyl)piperidin-1-yl)propyl)-5-methyl-2-oxooxazolidine-3-carboxamideSCHEMBL7658901DTYAFBJXWWLRMA-QMHKHESXSA-NBDBM50090647(4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxazolidine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide(4S,5S)-4-(3,4-Difluorophenyl)-N-[3-[4-(4-fluorophenyl)-1-piperidinyl]propyl]-5-methyl-2-oxo-3-oxazolidine carboxamide(4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxazolidine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
データベース識別子
- PubChem CID
- 9830741
- ChEMBL
CHEMBL96467- Nikkaji
- J1.402.094B
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 61.9 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
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 698
関連反応
1 件
化合物ノート
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