8-(1,8-naphthyridine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 729767
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: n1c(C(=O)N2CCC3(OCCC3)CC2)ccc2c1nccc2
• Canonical SMILES: O=C(c1ccc2c(n1)nccc2)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C17H19N3O2/c21-16(14-5-4-13-3-1-9-18-15(13)19-14)20-10-7-17(8-11-20)6-2-12-22-17/h1,3-5,9H,2,6-8,10-12H2
• InChIKey: SNPAOXDTJCNXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,8-naphthyridine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-(1,8-naphthyridine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 2-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1,8-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2128254
• LogD (pH = 7.4): 1.2128276
• Log P: 1.2128277
• Molar Refractivity: 83.8011 cm^3
• Polarizability: 32.18209 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.16
• LOG S: -2.81
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 1