N-(2-fluorophenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 552385
• Molecular Formular: C20H26FN3O3
• Molecular Mass: 375.4371432
• Monoisotopic Mass: 375.19581993
• SMILES: C12(C(=O)N(C3CCOCC3)CCC2)CN(C(=O)Nc2c(F)cccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCOCC1)Nc1ccccc1F
• InChI: InChI=1S/C20H26FN3O3/c21-16-4-1-2-5-17(16)22-19(26)23-11-9-20(14-23)8-3-10-24(18(20)25)15-6-12-27-13-7-15/h1-2,4-5,15H,3,6-14H2,(H,22,26)
• InChIKey: GZHOVLIEVPBLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(2-fluorophenyl)-6-oxo-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.424799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3805574
• LogD (pH = 7.4): 1.3805208
• Log P: 1.3805598
• Molar Refractivity: 100.6959 cm^3
• Polarizability: 37.880993 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.1
• LOG S: -2.88
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2