7-(5-methyl-2-phenylfuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 473444
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c1(c(oc(c1)C)c1ccccc1)C(=O)N1CC2(C(=O)NC(=O)C2)CC1
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)c1cc(oc1c1ccccc1)C
• InChI: InChI=1S/C19H18N2O4/c1-12-9-14(16(25-12)13-5-3-2-4-6-13)17(23)21-8-7-19(11-21)10-15(22)20-18(19)24/h2-6,9H,7-8,10-11H2,1H3,(H,20,22,24)
• InChIKey: KODNSSWEFHYWOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(5-methyl-2-phenylfuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(5-methyl-2-phenylfuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(5-methyl-2-phenyl-3-furoyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110259
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.048063
• LogD (pH = 7.4): 1.0472378
• Log P: 1.0480736
• Molar Refractivity: 90.7453 cm^3
• Polarizability: 35.47244 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.94
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 2