{7-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine

• ChemBase ID: 398190
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(nc(c2c3OC(Cc3ccc2)CN)cnc1)C(=O)N1CCOCC1
• Canonical SMILES: NCC1Cc2c(O1)c(ccc2)c1cncc(n1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H20N4O3/c19-9-13-8-12-2-1-3-14(17(12)25-13)15-10-20-11-16(21-15)18(23)22-4-6-24-7-5-22/h1-3,10-11,13H,4-9,19H2
• InChIKey: FUIMZMNERJGARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• IUPAC Traditional name: {7-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• Synonyms: ({7-[6-(morpholin-4-ylcarbonyl)pyrazin-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 91.4755 cm^3
• Polarizability: 36.582397 Å^3
• Polar Surface Area: 90.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.7841716
• LogD (pH = 7.4): -1.6988413
• Log P: 0.18131945

供应商提供(Chembridge)

• Polar Surface Area: 90.57 Å^2
• Rotatable Bonds: 3
• H Acceptors: 6
• H Donor: 1
• Log P: -0.96
• LOG S: -2.17