N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 399178
• Molecular Formular: C19H23FN4O2
• Molecular Mass: 358.4099232
• Monoisotopic Mass: 358.18050422
• SMILES: n1(c2c(cn1)C(NC(=O)CCN1OCCC1)CCC2)c1c(F)cccc1
• Canonical SMILES: O=C(NC1CCCc2c1cnn2c1ccccc1F)CCN1CCCO1
• InChI: InChI=1S/C19H23FN4O2/c20-15-5-1-2-7-18(15)24-17-8-3-6-16(14(17)13-21-24)22-19(25)9-11-23-10-4-12-26-23/h1-2,5,7,13,16H,3-4,6,8-12H2,(H,22,25)
• InChIKey: BPAGREQCQBOURS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-isoxazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.732028
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.529054
• LogD (pH = 7.4): 1.529276
• Log P: 1.5292789
• Molar Refractivity: 96.7436 cm^3
• Polarizability: 37.38547 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -3.52
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5