基本情報
- 標準SMILES
CCOC(CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)OCC- InChIKey
RXCXUPBHTYWSFV-UHFFFAOYSA-N- 分子式
- C33H37FN2O3
- 平均分子量
- 528.7 g/mol
名称と識別子
- 優先名称
- 1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methyl-ethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide
- IUPAC
- 1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
名称と別名
SCHEMBL9365103RXCXUPBHTYWSFV-UHFFFAOYSA-N1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methyl-ethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl- 1 H-pyrrole-3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl- 1H-pyrrole-3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1 H-pyrrole-3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1H-pyrrole- 3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-lH-pyrrole-3-carboxamide
データベース識別子
- PubChem CID
- 11049705
- Nikkaji
- J3.152.818F
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 52.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 12
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 710
関連反応
15 件
関連ノート
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