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

• ChemBase ID: 823630
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: N1(C(=O)c2nnccc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1cccnn1
• InChI: InChI=1S/C20H19N3O3/c1-25-17-7-6-14-11-16(5-4-15(14)12-17)19-13-23(9-10-26-19)20(24)18-3-2-8-21-22-18/h2-8,11-12,19H,9-10,13H2,1H3
• InChIKey: LNSGQSUSIZGQOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridazine-3-carbonyl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridazine-3-carbonyl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(pyridazin-3-ylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8571899
• LogD (pH = 7.4): 1.8571914
• Log P: 1.8571914
• Molar Refractivity: 98.5349 cm^3
• Polarizability: 38.317654 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.05
• LOG S: -2.64
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 3