Biphenyl-2-ylcarbamic Acid 1-(2-{[4-(4-Formyl-2,5-dimethylphenylcarbamoyl)butyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

HCID 86646967

基本情報

標準SMILES
Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C=O
InChIKey
AXILRMQSIJUQPV-UHFFFAOYSA-N
分子式
C36H44N4O5
平均分子量
612.8 g/mol

名称と識別子

優先名称
Biphenyl-2-ylcarbamic Acid 1-(2-{[4-(4-Formyl-2,5-dimethylphenylcarbamoyl)butyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester
IUPAC
[1-[3-[[5-(4-formyl-2,5-dimethylanilino)-5-oxopentyl]-methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

名称と別名

SCHEMBL694403AXILRMQSIJUQPV-UHFFFAOYSA-NBiphenyl-2-ylcarbamic Acid 1-(2-{[4-(4-Formyl-2,5-dimethyl-phenylcarbamoyl)butyl]methylcarbamoyl}ethyl)piperidin-4-yl Esterbiphenyl-2-ylcarbamic acid 1-(2-{[4-(4-formyl-2,5-dimethylphenyl carbamoyl)butyl]methyl carbamoyl}ethyl)piperidin-4-yl esterbiphenyl-2-ylcarbamic acid 1-(2-{[4-(4-formyl-2,5-dimethylphenyl carbamoyl)butyl]methylcarbamoyl}ethyl)piperidin-4-yl esterBiphenyl-2-ylcarbamic Acid 1-(2-{[4-(4-Formyl-2,5-dimethylphenylcarbamoyl)butyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

データベース識別子

PubChem CID
86646967

物性

構造計算による物性

XLogP
4.9
極性表面積
108 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
14
重原子数
45

関連反応

12 件

化合物ノート

読み込み中…