2-(cyclopropylmethyl)-9-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 827892
• Molecular Formular: C17H23F3N4O2
• Molecular Mass: 372.3853296
• Monoisotopic Mass: 372.17731066
• SMILES: c1(nc(on1)CN1CCC2(CN(C(=O)CC2)CC2CC2)CC1)C(F)(F)F
• Canonical SMILES: O=C1CCC2(CN1CC1CC1)CCN(CC2)Cc1onc(n1)C(F)(F)F
• InChI: InChI=1S/C17H23F3N4O2/c18-17(19,20)15-21-13(26-22-15)10-23-7-5-16(6-8-23)4-3-14(25)24(11-16)9-12-1-2-12/h12H,1-11H2
• InChIKey: FYOUKXNGGFKADX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-9-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-9-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-9-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3621006
• LogD (pH = 7.4): 2.1598556
• Log P: 2.190146
• Molar Refractivity: 89.2825 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: 2.13
• LOG S: -3.73
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5