8-(3,5-Bis-trifluoromethyl-benzoyl)-1-(2-chloro-phenyl)-3-(1,5-dimethyl-1H-pyrazol-3-ylmethyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione

HCID 18401676

基本情報

標準SMILES: Cc1cc(CN2C(=O)N(c3ccccc3Cl)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2=O)nn1C
InChIKey: NJGVADVUKVGPDL-UHFFFAOYSA-N
分子式: C28H24ClF6N5O3
平均分子量: 628 g/mol

名称と識別子

優先名称: 8-(3,5-Bis-trifluoromethyl-benzoyl)-1-(2-chloro-phenyl)-3-(1,5-dimethyl-1H-pyrazol-3-ylmethyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
IUPAC: 8-[3,5-bis(trifluoromethyl)benzoyl]-1-(2-chlorophenyl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

名称と別名

8-(3,5-Bis-trifluoromethyl-benzoyl)-1-(2-chloro-phenyl)-3-(1,5-dimethyl-1H-pyrazol-3-ylmethyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dioneSCHEMBL55583048-(3,5-Bis-trifluoromethyl-benzoyl)-1-(2-chloro-phenyl)-3-(1,5-dimethyl-1H-pyrazol -3-ylmethyl)-1,3,8-triaza-spiro[4.5 ]decane-2,4-dione

データベース識別子

PubChem CID: 18401676

物性

構造計算による物性

XLogP: 5
極性表面積: 78.8 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 4
重原子数: 43
形式電荷: 0
複雑度: 1,060