4-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]morpholine

• ChemBase ID: 419976
• Molecular Formular: C18H16N2O3
• Molecular Mass: 308.33124
• Monoisotopic Mass: 308.11609238
• SMILES: c1(oc2c(c1)cccc2)c1ncc(C(=O)N2CCOCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)c1cc2c(o1)cccc2)N1CCOCC1
• InChI: InChI=1S/C18H16N2O3/c21-18(20-7-9-22-10-8-20)14-5-6-15(19-12-14)17-11-13-3-1-2-4-16(13)23-17/h1-6,11-12H,7-10H2
• InChIKey: UMRNPJJTQDASFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]morpholine
• Synonyms: 4-{[6-(1-benzofuran-2-yl)pyridin-3-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9472528
• LogD (pH = 7.4): 1.9472654
• Log P: 1.9472656
• Molar Refractivity: 85.3302 cm^3
• Polarizability: 34.94464 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.12
• LOG S: -2.4
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2