4-{furo[3,2-c]pyridin-4-yl}-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 496183
• Molecular Formular: C22H20N2O3
• Molecular Mass: 360.4058
• Monoisotopic Mass: 360.14739251
• SMILES: c1(c2c(occ2)ccn1)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1nccc2c1cco2
• InChI: InChI=1S/C22H20N2O3/c1-25-18-5-4-15-12-17(3-2-16(15)13-18)21-14-24(9-11-27-21)22-19-7-10-26-20(19)6-8-23-22/h2-8,10,12-13,21H,9,11,14H2,1H3
• InChIKey: JKHVNRWGBXEWRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{furo[3,2-c]pyridin-4-yl}-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-{furo[3,2-c]pyridin-4-yl}-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7901056
• LogD (pH = 7.4): 4.0109715
• Log P: 4.0147433
• Molar Refractivity: 103.755 cm^3
• Polarizability: 41.926544 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.02
• LOG S: -6.37
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3