2-[4-(2-methoxyethoxy)phenyl]-3-(pyrrolidin-1-yl)pyrazine

• ChemBase ID: 687020
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(c(nccn1)c1ccc(cc1)OCCOC)N1CCCC1
• Canonical SMILES: COCCOc1ccc(cc1)c1nccnc1N1CCCC1
• InChI: InChI=1S/C17H21N3O2/c1-21-12-13-22-15-6-4-14(5-7-15)16-17(19-9-8-18-16)20-10-2-3-11-20/h4-9H,2-3,10-13H2,1H3
• InChIKey: XPUPUGOLZDNLBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxyethoxy)phenyl]-3-(pyrrolidin-1-yl)pyrazine
• IUPAC Traditional name: 2-[4-(2-methoxyethoxy)phenyl]-3-(pyrrolidin-1-yl)pyrazine
• Synonyms: 2-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4745378
• LogD (pH = 7.4): 2.4746275
• Log P: 2.4746287
• Molar Refractivity: 86.2982 cm^3
• Polarizability: 34.158695 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: -3.53
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6