2-(2,4-difluorophenoxy)-N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

• ChemBase ID: 689485
• Molecular Formular: C19H16F2N2O2S
• Molecular Mass: 374.4043464
• Monoisotopic Mass: 374.0900552
• SMILES: n1c(csc1CN(C(=O)COc1c(cc(cc1)F)F)C)c1ccccc1
• Canonical SMILES: Fc1ccc(c(c1)F)OCC(=O)N(Cc1scc(n1)c1ccccc1)C
• InChI: InChI=1S/C19H16F2N2O2S/c1-23(19(24)11-25-17-8-7-14(20)9-15(17)21)10-18-22-16(12-26-18)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3
• InChIKey: AWWACBUIOLRZAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)-N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)-N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
• Synonyms: 2-(2,4-difluorophenoxy)-N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.54712
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.708861
• LogD (pH = 7.4): 3.708879
• Log P: 3.7088792
• Molar Refractivity: 94.5664 cm^3
• Polarizability: 37.243324 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.74
• LOG S: -5.12
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6