Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate

• Catalog: OFC518048027
• CAS: 518048-02-7
• Category: Fluorinated Pyrimidines
• Synonyms: benzyl N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
• Purity: 95%
• MDL Number: MFCD10698740

• IUPAC Name: benzyl N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]carbamate
• InChI: InChI=1S/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)
• InChI Key: YSQDMQRPJOGQNV-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)NC(=O)OCC3=CC=CC=C3
• EC Number: 610-732-8

• Molecular Formula: C24H25FN4O5
• Molecular Weight: 468.48
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 468.18089807 g/mol
• Monoisotopic Mass: 468.18089807 g/mol
• Topological Polar Surface Area: 120Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 824