基本情報
- 標準SMILES
CN(C(=O)[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C)C(c1ccccc1)c1ccccc1- InChIKey
CVRDZXYJAOQFRH-XMMPIXPASA-N- 分子式
- C29H29F6N3OS
- 平均分子量
- 581.6 g/mol
- 単同位体質量
- 581.1935527
名称と識別子
- 優先名称
- (S)-N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide
- IUPAC
- (2S)-N-benzhydryl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide
名称と別名
1186602-28-7(S)-N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-(diphenylmethyl)-N,3,3-trimethylbutanamideMFCD18827622(2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide(2S)-N-benzhydryl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamideC29H29F6N3OS(2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%(S)-N-Benzhydryl-2-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-N,3,3-trimethylbutanamideSCHEMBL14761481AKOS030528977CS-16181
名称をさらに表示
SY070573CS-0092919D75370F604999N-(diphenylmethyl)-N,3,3-trimethylbutanamide,99%e.e.N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide(2S)-(-)-2-{[[[3,5-BIS(TIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO}-N-(DIPHENYLMETHYL)-N,3,3-TRIMETHYLBUTANAMIDE,95%(2S)-2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]thioxoMethyl]aMino]-N-(diphenylMethyl)-N,3,3-triMethyl-ButanaMide
物性
構造計算による物性
- XLogP
- 7.8
- 極性表面積
- 76.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 806
関連反応
2 件
化合物ノート
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