3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 345580
• Molecular Formular: C25H30N4O5
• Molecular Mass: 466.5295
• Monoisotopic Mass: 466.22162008
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(nccc2)C)CC1)C)Cc1c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(cccc1OC)CN1C(=O)NC(C1=O)(C)C1CCN(CC1)C(=O)c1cccnc1C
• InChI: InChI=1S/C25H30N4O5/c1-16-19(8-6-12-26-16)22(30)28-13-10-18(11-14-28)25(2)23(31)29(24(32)27-25)15-17-7-5-9-20(33-3)21(17)34-4/h5-9,12,18H,10-11,13-15H2,1-4H3,(H,27,32)
• InChIKey: FKDZSRBMGBWIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 3-(2,3-dimethoxybenzyl)-5-methyl-5-{1-[(2-methyl-3-pyridinyl)carbonyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.098567
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2648816
• LogD (pH = 7.4): 1.3088025
• Log P: 1.3094817
• Molar Refractivity: 125.5858 cm^3
• Polarizability: 48.082302 Å^3
• Polar Surface Area: 101.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.27
• LOG S: -5.53
• Polar Surface Area: 101.07 Å^2
• Rotatable Bonds: 4