4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]benzamide

• ChemBase ID: 490911
• Molecular Formular: C17H17N5O4
• Molecular Mass: 355.34798
• Monoisotopic Mass: 355.12805405
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCc2[nH]c(=O)cc(n2)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCc1nc(C)cc(=O)[nH]1
• InChI: InChI=1S/C17H17N5O4/c1-10-8-14(23)20-13(19-10)6-7-18-16(25)11-2-4-12(5-3-11)22-9-15(24)21-17(22)26/h2-5,8H,6-7,9H2,1H3,(H,18,25)(H,19,20,23)(H,21,24,26)
• InChIKey: MORPHZUMGOGIDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.845214
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.86313844
• LogD (pH = 7.4): -0.87756443
• Log P: -0.86293906
• Molar Refractivity: 93.0046 cm^3
• Polarizability: 34.32961 Å^3
• Polar Surface Area: 119.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.84
• LOG S: -2.38
• Polar Surface Area: 124.26 Å^2
• Rotatable Bonds: 5