4-[2-(2,3-dihydro-1-benzofuran-7-yl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 672898
• Molecular Formular: C18H18N2O3
• Molecular Mass: 310.34712
• Monoisotopic Mass: 310.13174245
• SMILES: C(=O)(N1CCOCC1)c1cc(c2c3OCCc3ccc2)ncc1
• Canonical SMILES: O=C(c1ccnc(c1)c1cccc2c1OCC2)N1CCOCC1
• InChI: InChI=1S/C18H18N2O3/c21-18(20-7-10-22-11-8-20)14-4-6-19-16(12-14)15-3-1-2-13-5-9-23-17(13)15/h1-4,6,12H,5,7-11H2
• InChIKey: BGYXTLOMNQSICK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3-dihydro-1-benzofuran-7-yl)pyridine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(2,3-dihydro-1-benzofuran-7-yl)pyridine-4-carbonyl]morpholine
• Synonyms: 4-[2-(2,3-dihydro-1-benzofuran-7-yl)isonicotinoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7502272
• LogD (pH = 7.4): 1.7503567
• Log P: 1.7503583
• Molar Refractivity: 86.3844 cm^3
• Polarizability: 34.09411 Å^3
• Polar Surface Area: 51.66 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: 0.21
• LOG S: -2.95
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 2