基本情報
- 標準SMILES
COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1- InChIKey
DPAOSJVQJAIHRV-UHFFFAOYSA-N- 分子式
- C24H22F3NO4
- 平均分子量
- 445.4 g/mol
名称と識別子
- 優先名称
- Methyl 3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate
- IUPAC
- methyl 3-[(3-phenoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)anilino)methyl]benzoate
名称と別名
CHEMBL341275methyl 3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoateSCHEMBL5180018BDBM50118063methyl 3-[[(3-phenoxy-phenyl )(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxy-phenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl )(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxy-propyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino] methyl]benzoatemethyl 3[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3[[(3-phenoxyphenyl)(3,3,3-trifluoro2-hydroxypropyl)amino]methyl]benzoate
名称をさらに表示
methyl-3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate3-{[(3-Phenoxy-phenyl)-(3,3,3-trifluoro-2-hydroxy-propyl)-amino]-methyl}-benzoic acid methyl ester
データベース識別子
- PubChem CID
- 10993963
- ChEMBL
CHEMBL341275
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 59 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 9
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 582
関連反応
92 件
化合物ノート
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