8-{4-[(2-fluorophenyl)methoxy]benzoyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 737412
• Molecular Formular: C22H23FN2O3
• Molecular Mass: 382.4280232
• Monoisotopic Mass: 382.16927083
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)c1ccc(OCc2c(F)cccc2)cc1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)c1ccc(cc1)OCc1ccccc1F
• InChI: InChI=1S/C22H23FN2O3/c23-19-4-2-1-3-17(19)14-28-18-7-5-16(6-8-18)21(27)25-11-9-22(10-12-25)13-20(26)24-15-22/h1-8H,9-15H2,(H,24,26)
• InChIKey: DIRYBPBTOTURNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{4-[(2-fluorophenyl)methoxy]benzoyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-{4-[(2-fluorophenyl)methoxy]benzoyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-{4-[(2-fluorobenzyl)oxy]benzoyl}-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.128301
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1970403
• LogD (pH = 7.4): 2.1970406
• Log P: 2.1970406
• Molar Refractivity: 103.8864 cm^3
• Polarizability: 39.43042 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.59
• LOG S: -3.35
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4