2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine

• ChemBase ID: 730936
• Molecular Formular: C22H22N2O4
• Molecular Mass: 378.42108
• Monoisotopic Mass: 378.15795719
• SMILES: C(=O)(c1ncccc1OC)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1ncccc1OC
• InChI: InChI=1S/C22H22N2O4/c1-26-18-8-7-15-12-17(6-5-16(15)13-18)20-14-24(10-11-28-20)22(25)21-19(27-2)4-3-9-23-21/h3-9,12-13,20H,10-11,14H2,1-2H3
• InChIKey: JYPWMIKZGIVPPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(3-methoxypyridine-2-carbonyl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-[(3-methoxypyridin-2-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6792734
• LogD (pH = 7.4): 2.6792898
• Log P: 2.67929
• Molar Refractivity: 105.1348 cm^3
• Polarizability: 41.722885 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.92
• LOG S: -4.45
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 4