5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-[2-(pyridin-2-yl)ethyl]imidazolidine-2,4-dione

• ChemBase ID: 352165
• Molecular Formular: C24H30N4O4
• Molecular Mass: 438.5194
• Monoisotopic Mass: 438.22670546
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(occ2)C)CC1)CCC)CCc1ncccc1
• Canonical SMILES: CCCC1(NC(=O)N(C1=O)CCc1ccccn1)C1CCN(CC1)C(=O)c1ccoc1C
• InChI: InChI=1S/C24H30N4O4/c1-3-11-24(18-7-13-27(14-8-18)21(29)20-10-16-32-17(20)2)22(30)28(23(31)26-24)15-9-19-6-4-5-12-25-19/h4-6,10,12,16,18H,3,7-9,11,13-15H2,1-2H3,(H,26,31)
• InChIKey: NCCXMOIMEBGKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-[2-(pyridin-2-yl)ethyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-[2-(pyridin-2-yl)ethyl]imidazolidine-2,4-dione
• Synonyms: 5-[1-(2-methyl-3-furoyl)-4-piperidinyl]-5-propyl-3-[2-(2-pyridinyl)ethyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.0749056
• LogD (pH = 7.4): 2.118163
• Log P: 2.1188366
• Molar Refractivity: 119.0332 cm^3
• Polarizability: 45.434433 Å^3
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 11.079989
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 1.63
• LOG S: -5.49
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5