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

• ChemBase ID: 534894
• Molecular Formular: C21H19FN4O3
• Molecular Mass: 394.3989632
• Monoisotopic Mass: 394.14411871
• SMILES: c1(nn(c2c1c(N1C(=O)OCC1)ccc2)c1ccc(cc1)F)NC(=O)C1CCC1
• Canonical SMILES: O=C(C1CCC1)Nc1nn(c2c1c(ccc2)N1CCOC1=O)c1ccc(cc1)F
• InChI: InChI=1S/C21H19FN4O3/c22-14-7-9-15(10-8-14)26-17-6-2-5-16(25-11-12-29-21(25)28)18(17)19(24-26)23-20(27)13-3-1-4-13/h2,5-10,13H,1,3-4,11-12H2,(H,23,24,27)
• InChIKey: ZBGIHBGIQUTIBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.274292
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8267183
• LogD (pH = 7.4): 3.8266644
• Log P: 3.8267195
• Molar Refractivity: 105.774 cm^3
• Polarizability: 40.93713 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.5
• LOG S: -5.06
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4