7-(cyclobutylmethyl)-2-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 321431
• Molecular Formular: C17H23F3N4O2
• Molecular Mass: 372.3853296
• Monoisotopic Mass: 372.17731066
• SMILES: c1(nc(on1)CN1CC2(C(=O)N(CC3CCC3)CCC2)CC1)C(F)(F)F
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1onc(n1)C(F)(F)F)CC1CCC1
• InChI: InChI=1S/C17H23F3N4O2/c18-17(19,20)14-21-13(26-22-14)10-23-8-6-16(11-23)5-2-7-24(15(16)25)9-12-3-1-4-12/h12H,1-11H2
• InChIKey: IMWOMAORJYTWQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2380165
• LogD (pH = 7.4): 2.5295286
• Log P: 2.6476073
• Molar Refractivity: 89.3343 cm^3
• Polarizability: 33.036907 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.73
• LOG S: -4.25
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5