2-(6-methoxynaphthalen-2-yl)-4-[2-(1H-pyrazol-1-yl)ethyl]morpholine

• ChemBase ID: 519489
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: n1(nccc1)CCN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)CCn1cccn1
• InChI: InChI=1S/C20H23N3O2/c1-24-19-6-5-16-13-18(4-3-17(16)14-19)20-15-22(11-12-25-20)9-10-23-8-2-7-21-23/h2-8,13-14,20H,9-12,15H2,1H3
• InChIKey: IRBATUMAUBSQRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-[2-(1H-pyrazol-1-yl)ethyl]morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-[2-(pyrazol-1-yl)ethyl]morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-[2-(1H-pyrazol-1-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4792153
• LogD (pH = 7.4): 2.7157907
• Log P: 2.8172956
• Molar Refractivity: 109.2512 cm^3
• Polarizability: 39.22544 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.05
• LOG S: -3.26
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5