Ethyl 2-(4-bromobenzyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
基本情報
- CAS
5850-97-5- 標準SMILES
CCOC(=O)C1=C(C)N=C2SC(Cc3ccc(Br)cc3)C(=O)N2C1c1ccc(OC)cc1- InChIKey
HQOBZYOPKFTLLE-UHFFFAOYSA-N- 分子式
- C24H23BrN2O4S
- 平均分子量
- 515.4 g/mol
- 単同位体質量
- 514.05619
名称と識別子
- 優先名称
- Ethyl 2-(4-bromobenzyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
名称と別名
5850-97-5Ethyl 2-(4-bromobenzyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateZINC01220149ethyl 2-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateDTXSID60386796MFCD00648968STK861367AKOS000524849AKOS016310513Ethyl 2-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateZINC000001220147ZINC000001220150
名称をさらに表示
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(S2)CC4=CC=C(C=C4)Br)Cethyl 2-(4-bromobenzyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL2((4BROMOPHENYL)METHYL)5(4METHOXYPHENYL)7METHYL3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATEETHYL2((4BROMOPHENYL)METHYL)5(4METHOXYPHENYL)7METHYL3OXO2H5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATEETHYL2((4BROMOPHENYL)METHYL)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATEethyl2(4bromobenzyl)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylateethyl2(4bromobenzyl)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylateETHYL8((4BROMOPHENYL)METHYL)2(4METHOXYPHENYL)4METHYL9OXO7THIA15DIAZABICYCLO(430)NONA35DIENE3CARBOXYLATE
データベース識別子
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 93.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 785
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…