N-(3,3-diphenylpropyl)-6-(4-methyl-1H-imidazole-2-carbonyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 318830
• Molecular Formular: C28H32N4O2
• Molecular Mass: 456.57928
• Monoisotopic Mass: 456.25252628
• SMILES: C12(C(C1)C(=O)NCCC(c1ccccc1)c1ccccc1)CCN(C(=O)c1nc(c[nH]1)C)CC2
• Canonical SMILES: O=C(C1CC21CCN(CC2)C(=O)c1[nH]cc(n1)C)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H32N4O2/c1-20-19-30-25(31-20)27(34)32-16-13-28(14-17-32)18-24(28)26(33)29-15-12-23(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,19,23-24H,12-18H2,1H3,(H,29,33)(H,30,31)
• InChIKey: WUHQGASPEUUQIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-6-(4-methyl-1H-imidazole-2-carbonyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-6-(4-methyl-1H-imidazole-2-carbonyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-(3,3-diphenylpropyl)-6-[(4-methyl-1H-imidazol-2-yl)carbonyl]-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.243303
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.151585
• LogD (pH = 7.4): 3.153311
• Log P: 3.1533937
• Molar Refractivity: 132.8878 cm^3
• Polarizability: 50.947018 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.13
• LOG S: -6.78
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 7