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

• ChemBase ID: 716086
• Molecular Formular: C21H21FN4O4
• Molecular Mass: 412.4142432
• Monoisotopic Mass: 412.15468339
• SMILES: n1n(c2c(c1NC(=O)CN1C(=O)OCC1)c(OC(C)C)ccc2)c1ccc(cc1)F
• Canonical SMILES: O=C(Nc1nn(c2c1c(ccc2)OC(C)C)c1ccc(cc1)F)CN1CCOC1=O
• InChI: InChI=1S/C21H21FN4O4/c1-13(2)30-17-5-3-4-16-19(17)20(23-18(27)12-25-10-11-29-21(25)28)24-26(16)15-8-6-14(22)7-9-15/h3-9,13H,10-12H2,1-2H3,(H,23,24,27)
• InChIKey: MTIJTUNZUBHWJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.075953
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2346807
• LogD (pH = 7.4): 3.2345958
• Log P: 3.2346828
• Molar Refractivity: 109.1257 cm^3
• Polarizability: 42.368946 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: 3.41
• LOG S: -5.12
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 6