5-methyl-3-[2-(morpholin-4-yl)ethyl]-5-[1-(4-phenylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 458308
• Molecular Formular: C28H34N4O4
• Molecular Mass: 490.59396
• Monoisotopic Mass: 490.25800559
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2ccc(cc2)c2ccccc2)CC1)C)CCN1CCOCC1
• Canonical SMILES: O=C1NC(C(=O)N1CCN1CCOCC1)(C)C1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C28H34N4O4/c1-28(26(34)32(27(35)29-28)16-15-30-17-19-36-20-18-30)24-11-13-31(14-12-24)25(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,24H,11-20H2,1H3,(H,29,35)
• InChIKey: ZNWATNHAXHIKMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-[2-(morpholin-4-yl)ethyl]-5-[1-(4-phenylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-3-[2-(morpholin-4-yl)ethyl]-5-[1-(4-phenylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-[1-(4-biphenylylcarbonyl)-4-piperidinyl]-5-methyl-3-[2-(4-morpholinyl)ethyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.548971
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7373737
• LogD (pH = 7.4): 2.4127676
• Log P: 2.434023
• Molar Refractivity: 137.842 cm^3
• Polarizability: 54.17532 Å^3
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.81
• LOG S: -5.12
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 6