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

• ChemBase ID: 355503
• Molecular Formular: C25H30N4O6
• Molecular Mass: 482.5289
• Monoisotopic Mass: 482.2165347
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(nccc2)OC)CC1)C)Cc1c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(cccc1OC)CN1C(=O)NC(C1=O)(C)C1CCN(CC1)C(=O)c1cccnc1OC
• InChI: InChI=1S/C25H30N4O6/c1-25(17-10-13-28(14-11-17)22(30)18-8-6-12-26-21(18)35-4)23(31)29(24(32)27-25)15-16-7-5-9-19(33-2)20(16)34-3/h5-9,12,17H,10-11,13-15H2,1-4H3,(H,27,32)
• InChIKey: GPCCLCNPNOZZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.883596
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.6148322
• LogD (pH = 7.4): 1.6147561
• Log P: 1.6148978
• Molar Refractivity: 127.771 cm^3
• Polarizability: 48.870213 Å^3
• Polar Surface Area: 110.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.54
• LOG S: -5.64
• Polar Surface Area: 110.3 Å^2
• Rotatable Bonds: 4