2-[(3-methoxyphenyl)methyl]-4-(5-methylpyrazine-2-carbonyl)morpholine

• ChemBase ID: 314894
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: N1(C(=O)c2ncc(nc2)C)CC(OCC1)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)C(=O)c1cnc(cn1)C
• InChI: InChI=1S/C18H21N3O3/c1-13-10-20-17(11-19-13)18(22)21-6-7-24-16(12-21)9-14-4-3-5-15(8-14)23-2/h3-5,8,10-11,16H,6-7,9,12H2,1-2H3
• InChIKey: ZQAZYQMQKFXFKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)methyl]-4-(5-methylpyrazine-2-carbonyl)morpholine
• IUPAC Traditional name: 2-[(3-methoxyphenyl)methyl]-4-(5-methylpyrazine-2-carbonyl)morpholine
• Synonyms: 2-(3-methoxybenzyl)-4-[(5-methyl-2-pyrazinyl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0498421
• LogD (pH = 7.4): 1.0498435
• Log P: 1.0498435
• Molar Refractivity: 89.411 cm^3
• Polarizability: 34.438053 Å^3
• Polar Surface Area: 64.55 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: 1.22
• LOG S: -3.09
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 3