Methyl (R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

• Catalog: OFC247037816
• CAS: 247037-81-6
• Category: Fluorinated Pyrimidines
• Synonyms: (R)-methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
• Purity: 97%
• MDL Number: MFCD32068499

• IUPAC Name: methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
• InChI: InChI=1S/C16H13ClFN3O2S/c1-8-12(16(22)23-2)13(10-4-3-9(18)7-11(10)17)21-14(20-8)15-19-5-6-24-15/h3-7,13H,1-2H3,(H,20,21)/t13-/m0/s1
• InChI Key: QMZPEPRAOFNSQH-ZDUSSCGKSA-N
• Isomeric SMILES: CC1=C([C@@H](N=C(N1)C2=NC=CS2)C3=C(C=C(C=C3)F)Cl)C(=O)OC

• Molecular Formula: C16H13ClFN3O2S
• Molecular Weight: 365.81
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 365.0401037 g/mol
• Monoisotopic Mass: 365.0401037 g/mol
• Topological Polar Surface Area: 91.8Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 572