基本情報
- 標準SMILES
COC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl- InChIKey
QMZPEPRAOFNSQH-ZDUSSCGKSA-N- 分子式
- C16H13ClFN3O2S
- 平均分子量
- 365.8 g/mol
名称と識別子
- 優先名称
- Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
名称と別名
1579251-94-7Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateMFCD31630421247037-81-6Methyl (r)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateCHEMBL3121560C16H13ClFN3O2Smethyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateMethyl (R)-6-(2-chloro-4-fluorophenyl)-4-methyl-2-(thiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylatemethyl (4R)-4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylateSCHEMBL15507652QMZPEPRAOFNSQH-ZDUSSCGKSA-N
名称をさらに表示
Ethyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateAC4551BDBM50450814(R)-methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateSY233360SY254158CS-0143328(R)-4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester
データベース識別子
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 91.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 572
関連反応
3 件
化合物ノート
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