442557-65-5 ((methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate)

结构式：

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylateMOL文件

CAS号：

442557-65-5

英文名称：

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate

分子式：

C₂₄H₂₂FN₃O₃S

分子量：

451.513187885284

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate(442557-65-5)名称与标识符

名称

英文别名：

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate;Oprea1_646917;Oprea1_682275;STK827682;Z56910229;methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate;methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylat;

标识符

InChIKey：

TUVITTADPMRAIV-UHFFFAOYSA-N

Inchi：

1S/C24H22FN3O3S/c1-14-7-6-8-16(11-14)28-20(29)13-32-23-18(12-26)22(17-9-4-5-10-19(17)25)21(15(2)27-23)24(30)31-3/h4-11,22,27H,13H2,1-3H3,(H,28,29)

SMILES：

S(CC(NC1C=CC=C(C)C=1)=O)C1=C(C#N)C(C2C=CC=CC=2F)C(C(=O)OC)=C(C)N1

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate(442557-65-5)物化性质

计算特性

氢键供体数量 : 2
氢键受体数量 : 7
可旋转化学键数量 : 7
重原子数量 : 32
复杂度 : 847
疏水参数计算参考值（XlogP） : 4.1
拓扑分子极性表面积 : 117

81432-12-4(N-(7-硝基-2,1,3-苯并恶二唑-4-基)-L-脯氨酸) 81479-48-3(QUIZARTINIB中间体1) 81323-91-3(三(甲基亚磷酸)铝) 813-67-2(2,2-Dimethylbutanoic acid methyl ester) 81426-14-4(8-乙酰氧基松脂醇) 80646-52-2(3’-叠氮基-5-[（E）-2-溴乙烯基]-2’，3’-二脱氧尿苷) 80651-74-7(（2beta，3beta，5beta，14xi，17alpha）-2,3,5,14,20-五羟基-22,25-环氧胆甾-7-烯-6-酮) 80690-65-9(3-氯-4-乙炔基苯胺)

960化工网为您提供methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.442557-65-5,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:442557-65-5 国际站:442557-65-5

442557-65-5 ((methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate)

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate(442557-65-5)名称与标识符

名称

标识符

methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate(442557-65-5)物化性质

计算特性

目录