N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-methoxypropanamide

• ChemBase ID: 370365
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(nc(cnc1C)C)c1cc2c(OC(C2)CNC(=O)CCOC)cc1
• Canonical SMILES: COCCC(=O)NCC1Cc2c(O1)ccc(c2)c1nc(C)cnc1C
• InChI: InChI=1S/C19H23N3O3/c1-12-10-20-13(2)19(22-12)14-4-5-17-15(8-14)9-16(25-17)11-21-18(23)6-7-24-3/h4-5,8,10,16H,6-7,9,11H2,1-3H3,(H,21,23)
• InChIKey: UYPFHPJFCPWCEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-methoxypropanamide
• IUPAC Traditional name: N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-methoxypropanamide
• Synonyms: N-{[5-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.107774
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.86042154
• LogD (pH = 7.4): 0.86045486
• Log P: 0.8604553
• Molar Refractivity: 93.6808 cm^3
• Polarizability: 37.747005 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.94
• LOG S: -4.16
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 5