5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide
基本情報
- 標準SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)N(c1ccccc1)c1ccccc1- InChIKey
ZNDMQPOHVJZVMB-UHFFFAOYSA-N- 分子式
- C45H44FN3O4
- 平均分子量
- 709.8 g/mol
名称と識別子
- 優先名称
- 5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide
- IUPAC
- 1-[3,5-dihydroxy-7-oxo-7-(N-phenylanilino)heptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
名称と別名
ZNDMQPOHVJZVMB-UHFFFAOYSA-N1-[(3R,5R)-6-(diphenylcarbamoyl)-3,5-dihydroxyhexyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide5- (4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino) carbonyl]-1H-pyrrole- 1-heptanamide5-(4-fluorophenyl) -beta,delta-dihydroxy -2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole- 1-heptanamide5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide
データベース識別子
- PubChem CID
- 19006358
物性
構造計算による物性
- XLogP
- 8
- 極性表面積
- 94.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 14
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
8 件
化合物ノート
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