8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(3,5-dimethyl-isoxazol-4-yl-methyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione (HCID 18401635)

基本情報

標準SMILES: Cc1ccccc1N1C(=O)N(Cc2c(C)noc2C)C(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2
InChIKey: CDVCXXKQLHDDAJ-UHFFFAOYSA-N
分子式: C29H26F6N4O4
平均分子量: 608.5 g/mol
単同位体質量: 608.1858243

名称と識別子

優先名称: 8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(3,5-dimethyl-isoxazol-4-yl-methyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
IUPAC: 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

名称と別名

8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(3,5-dimethyl-isoxazol-4-yl-methyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decane-2,4-dioneSCHEMBL55576588-(3,5-Bis-trifluoromethyl-benzoyl)-3-(3,5-dimethyl-isoxazol-4-yl-methyl)-1-o-tolyl -1,3,8-triaza-spiro[4.5]decane-2,4-dione

データベース識別子

PubChem CID: 18401635

物性

構造計算による物性

XLogP: 5.3
極性表面積: 87 Å²
水素結合供与体数: 0
水素結合受容体数: 11
回転可能結合数: 4
重原子数: 43
形式電荷: 0
複雑度: 1,060

化合物ノート

読み込み中…