N-benzyl-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 794755
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: c1(c(=O)[nH]c(nc1C)C)CC(=O)N(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: Cc1nc(C)c(c(=O)[nH]1)CC(=O)N(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C19H20N4O2S/c1-13-16(19(25)22-14(2)21-13)10-18(24)23(12-17-20-8-9-26-17)11-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3,(H,21,22,25)
• InChIKey: ISUHDLDVIVUESX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-benzyl-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.217179
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0339063
• LogD (pH = 7.4): 1.0283662
• Log P: 1.0341811
• Molar Refractivity: 101.1685 cm^3
• Polarizability: 38.302605 Å^3
• Polar Surface Area: 74.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.95
• LOG S: -2.7
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6