5-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione

• ChemBase ID: 387465
• Molecular Formular: C24H31N3O4
• Molecular Mass: 425.52064
• Monoisotopic Mass: 425.23145649
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(OC)ccc1)C1CCN(Cc2oc(cc2)CC)CC1)C
• Canonical SMILES: COc1cccc(c1)CC1(NC(=O)N(C1=O)C)C1CCN(CC1)Cc1ccc(o1)CC
• InChI: InChI=1S/C24H31N3O4/c1-4-19-8-9-21(31-19)16-27-12-10-18(11-13-27)24(22(28)26(2)23(29)25-24)15-17-6-5-7-20(14-17)30-3/h5-9,14,18H,4,10-13,15-16H2,1-3H3,(H,25,29)
• InChIKey: YDNYLXDSLQHEIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
• Synonyms: 5-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-5-(3-methoxybenzyl)-3-methyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.084046
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1924693
• LogD (pH = 7.4): 1.9640367
• Log P: 2.9110432
• Molar Refractivity: 118.4299 cm^3
• Polarizability: 45.66084 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.36
• LOG S: -4.6
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 5