2-ethoxy-N-[1-(3-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-1H-indazol-3-yl]acetamide

• ChemBase ID: 642945
• Molecular Formular: C20H19FN4O4
• Molecular Mass: 398.3876632
• Monoisotopic Mass: 398.13903333
• SMILES: n1(nc(c2c1cccc2N1C(=O)OCC1)NC(=O)COCC)c1cc(F)ccc1
• Canonical SMILES: CCOCC(=O)Nc1nn(c2c1c(ccc2)N1CCOC1=O)c1cccc(c1)F
• InChI: InChI=1S/C20H19FN4O4/c1-2-28-12-17(26)22-19-18-15(24-9-10-29-20(24)27)7-4-8-16(18)25(23-19)14-6-3-5-13(21)11-14/h3-8,11H,2,9-10,12H2,1H3,(H,22,23,26)
• InChIKey: DVPRODHCWANNFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N-[1-(3-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-1H-indazol-3-yl]acetamide
• IUPAC Traditional name: 2-ethoxy-N-[1-(3-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]acetamide
• Synonyms: 2-ethoxy-N-[1-(3-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-1H-indazol-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.956322
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7850392
• LogD (pH = 7.4): 2.7849264
• Log P: 2.785041
• Molar Refractivity: 104.9758 cm^3
• Polarizability: 40.538845 Å^3
• Polar Surface Area: 85.69 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: 2.94
• LOG S: -4.62
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 6