基本情報
- CAS
875550-05-3- 標準SMILES
CC(C)c1cc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c(O)cc1F- InChIKey
XYMCQCXEGYUQJU-SXBQZSJRSA-N- 分子式
- C29H23F10NO3
- 平均分子量
- 623.5 g/mol
名称と識別子
- 優先名称
- Anacetrapib metabolite M1
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-hydroxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
名称と別名
Anacetrapib metabolite M1UNII-K9V5F9ZV6HK9V5F9ZV6H875550-05-3(4S,5R)-5-(3,5-Bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-yl)methyl)-4-methyl-2-oxazolidinone(4S,5R)-5-(3,5-Bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-isopropyl-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one2-Oxazolidinone, 5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-yl)methyl)-4-methyl-, (4S,5R)-(4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-hydroxy-5'-isopropyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-oneSCHEMBL531419(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-hydroxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin- 2-one(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-hydroxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one
データベース識別子
- CAS
875550-05-3- PubChem CID
- 11527411
- UNII
- K9V5F9ZV6H
- Nikkaji
- J3.565.351A
物性
構造計算による物性
- XLogP
- 8.5
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 13
- 回転可能結合数
- 5
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 948
関連反応
4 件
化合物ノート
読み込み中…