2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 636925
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(C(=O)c2occc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccco1)Cc1cccnc1
• InChI: InChI=1S/C19H21N3O3/c23-17(16-5-2-11-25-16)22-10-7-19(14-22)6-3-9-21(18(19)24)13-15-4-1-8-20-12-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13-14H2
• InChIKey: YBRGQGIJBMJUQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-furoyl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7179201
• LogD (pH = 7.4): 0.789185
• Log P: 0.79019463
• Molar Refractivity: 92.3893 cm^3
• Polarizability: 35.078865 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.03
• LOG S: -2.69
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3