6-methoxy-3-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 693979
• Molecular Formular: C18H20N2O3S
• Molecular Mass: 344.428
• Monoisotopic Mass: 344.11946351
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)NCCCc1c(ncs1)C
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)NCCCc1scnc1C
• InChI: InChI=1S/C18H20N2O3S/c1-11-14-7-6-13(22-3)9-15(14)23-17(11)18(21)19-8-4-5-16-12(2)20-10-24-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,21)
• InChIKey: FPYLMYDKBPSGIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 6-methoxy-3-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-benzofuran-2-carboxamide
• Synonyms: 6-methoxy-3-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.115943
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.862406
• LogD (pH = 7.4): 2.862738
• Log P: 2.8627422
• Molar Refractivity: 93.9627 cm^3
• Polarizability: 36.481564 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.32
• LOG S: -4.55
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6