5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 861826
• Molecular Formular: C28H33N5O3
• Molecular Mass: 487.59332
• Monoisotopic Mass: 487.25833994
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(Cc2c3nccnc3ccc2)CC1)CC)CCc1ccc(cc1)OC
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CCc1ccc(cc1)OC)C1CCN(CC1)Cc1cccc2c1nccn2
• InChI: InChI=1S/C28H33N5O3/c1-3-28(26(34)33(27(35)31-28)18-11-20-7-9-23(36-2)10-8-20)22-12-16-32(17-13-22)19-21-5-4-6-24-25(21)30-15-14-29-24/h4-10,14-15,22H,3,11-13,16-19H2,1-2H3,(H,31,35)
• InChIKey: KWFCZQCHPFWGOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(5-quinoxalinylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.339134
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.30997288
• LogD (pH = 7.4): 2.015857
• Log P: 3.3338757
• Molar Refractivity: 137.0303 cm^3
• Polarizability: 54.59188 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.35
• LOG S: -5.1
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 6