5-methoxy-N-methyl-4-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H-pyran-2-carboxamide

• ChemBase ID: 405406
• Molecular Formular: C18H16N2O4S
• Molecular Mass: 356.39564
• Monoisotopic Mass: 356.083078
• SMILES: c1(cc(=O)c(co1)OC)C(=O)N(Cc1nc(sc1)c1ccccc1)C
• Canonical SMILES: COc1coc(cc1=O)C(=O)N(Cc1csc(n1)c1ccccc1)C
• InChI: InChI=1S/C18H16N2O4S/c1-20(18(22)15-8-14(21)16(23-2)10-24-15)9-13-11-25-17(19-13)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3
• InChIKey: JPKPVROBWJDASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-methyl-4-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H-pyran-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-methyl-4-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyran-2-carboxamide
• Synonyms: 5-methoxy-N-methyl-4-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.214619
• LogD (pH = 7.4): 2.2147253
• Log P: 2.2147267
• Molar Refractivity: 105.9754 cm^3
• Polarizability: 36.428997 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.43
• LOG S: -3.02
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 5