4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

HCID 2494

基本情報

標準SMILES
C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C
InChIKey
LBLDMHBSVIVJPM-UHFFFAOYSA-N
分子式
C27H37N3O2
平均分子量
435.6 g/mol

名称と識別子

優先名称
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
IUPAC
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

名称と別名

CHEMBL3038554-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamideSCHEMBL4576398LBLDMHBSVIVJPM-UHFFFAOYSA-NFGA83650BDBM500390284-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamideQ4836836Piperazine, 2,5-dimethyl-1-[[.alpha.-hydroxyphenyl-4-(N,N-diethylamino)4-[(4-Allyl-2,5-dimethyl-1-piperazinyl)(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide #

データベース識別子

PubChem CID
2494
ChEMBL
CHEMBL303855

物性

構造計算による物性

XLogP
4.6
極性表面積
47 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
8
重原子数
32

関連反応

4 件

関連ノート

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