4-(2,4-dioxoimidazolidin-1-yl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]benzamide

• ChemBase ID: 578931
• Molecular Formular: C17H19N5O4
• Molecular Mass: 357.36386
• Monoisotopic Mass: 357.14370411
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(c2n(ncc2)C)COC)cc1
• Canonical SMILES: COCC(c1ccnn1C)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C17H19N5O4/c1-21-14(7-8-18-21)13(10-26-2)19-16(24)11-3-5-12(6-4-11)22-9-15(23)20-17(22)25/h3-8,13H,9-10H2,1-2H3,(H,19,24)(H,20,23,25)
• InChIKey: HUYZRVVSHJXQMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064464
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.40936154
• LogD (pH = 7.4): -0.41834152
• Log P: -0.40914375
• Molar Refractivity: 103.8027 cm^3
• Polarizability: 34.842617 Å^3
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.59
• LOG S: -2.61
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 6