7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 841091
• Molecular Formular: C16H21FN2O2
• Molecular Mass: 292.3485432
• Monoisotopic Mass: 292.15870614
• SMILES: C1(=O)N(Cc2c(ccc(c2)OC)F)CCCC21CNCC2
• Canonical SMILES: COc1ccc(c(c1)CN1CCCC2(C1=O)CNCC2)F
• InChI: InChI=1S/C16H21FN2O2/c1-21-13-3-4-14(17)12(9-13)10-19-8-2-5-16(15(19)20)6-7-18-11-16/h3-4,9,18H,2,5-8,10-11H2,1H3
• InChIKey: IDIIVWOQGDMOIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-fluoro-5-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7683026
• LogD (pH = 7.4): -1.4826835
• Log P: 1.4685344
• Molar Refractivity: 78.5985 cm^3
• Polarizability: 30.36903 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.69
• LOG S: -2.78
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3