基本情報
- 標準SMILES
Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1- InChIKey
JCDUOXCDAPEHFI-UHFFFAOYSA-N- 分子式
- C39H34N6O
- 平均分子量
- 602.7 g/mol
名称と識別子
- 優先名称
- 3-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine
- IUPAC
- 3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]aniline
名称と別名
3-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl))-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamineSCHEMBL5374181SCHEMBL5651015JCDUOXCDAPEHFI-UHFFFAOYSA-N3-{1-perhydro-2H-pyran-2-yl -5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1 -(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl) (1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4- triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl} phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenyl Amine
名称をさらに表示
3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazole-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[l -(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine
データベース識別子
- PubChem CID
- 21101182
物性
構造計算による物性
- XLogP
- 7.8
- 極性表面積
- 83.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 917
関連反応
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