4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-6-methoxypyridin-3-yl}-3-methylbenzoic acid
基本情報
- 標準SMILES
COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
RUCBPKKNCDWBHU-SOKVYYICSA-N- 分子式
- C34H27F8N5O5
- 平均分子量
- 737.6 g/mol
名称と識別子
- 優先名称
- 4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-6-methoxypyridin-3-yl}-3-methylbenzoic acid
- IUPAC
- 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid
名称と別名
4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-6-methoxypyridin-3-yl}-3-methylbenzoic acidCHEMBL3933239SCHEMBL15526492BDBM234646US9353101, 42
データベース識別子
- PubChem CID
- 72189668
- ChEMBL
CHEMBL3933239
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 118 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 17
- 回転可能結合数
- 8
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,260
関連反応
1 件
化合物ノート
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