N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide

• ChemBase ID: 699318
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: [nH]1c(=O)n(cc(c1=O)C)CC(=O)NC1CC(=O)N(C1)C1CCCCCC1
• Canonical SMILES: O=C(Cn1cc(C)c(=O)[nH]c1=O)NC1CC(=O)N(C1)C1CCCCCC1
• InChI: InChI=1S/C18H26N4O4/c1-12-9-21(18(26)20-17(12)25)11-15(23)19-13-8-16(24)22(10-13)14-6-4-2-3-5-7-14/h9,13-14H,2-8,10-11H2,1H3,(H,19,23)(H,20,25,26)
• InChIKey: WDTBHIOTVQWESB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)acetamide
• Synonyms: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.001415
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.14612558
• LogD (pH = 7.4): 0.1450656
• Log P: 0.1461392
• Molar Refractivity: 93.7426 cm^3
• Polarizability: 36.378063 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.28
• LOG S: -3.39
• Polar Surface Area: 104.27 Å^2
• Rotatable Bonds: 4