7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 727901
• Molecular Formular: C22H26FN3O2
• Molecular Mass: 383.4591432
• Monoisotopic Mass: 383.20090531
• SMILES: N1(C(=O)c2ncccc2)CC2(CN(Cc3c(ccc(c3)OC)F)CCC2)CC1
• Canonical SMILES: COc1ccc(c(c1)CN1CCCC2(C1)CCN(C2)C(=O)c1ccccn1)F
• InChI: InChI=1S/C22H26FN3O2/c1-28-18-6-7-19(23)17(13-18)14-25-11-4-8-22(15-25)9-12-26(16-22)21(27)20-5-2-3-10-24-20/h2-3,5-7,10,13H,4,8-9,11-12,14-16H2,1H3
• InChIKey: JJSLVTAAANUVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-fluoro-5-methoxybenzyl)-2-(2-pyridinylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.56339765
• LogD (pH = 7.4): 2.2537427
• Log P: 2.6967022
• Molar Refractivity: 106.4747 cm^3
• Polarizability: 40.681156 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.63
• LOG S: -3.12
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3