1-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methyl-ethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

HCID 11049705

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

関連反応

15 件

関連ノート

読み込み中…