9-[(5-ethylfuran-2-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 315974
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1oc(cc1)CC)CC2)Cc1ncc(nc1)C
• Canonical SMILES: CCc1ccc(o1)CN1CCC2(CC1)CCC(=O)N(C2)Cc1ncc(nc1)C
• InChI: InChI=1S/C22H30N4O2/c1-3-19-4-5-20(28-19)15-25-10-8-22(9-11-25)7-6-21(27)26(16-22)14-18-13-23-17(2)12-24-18/h4-5,12-13H,3,6-11,14-16H2,1-2H3
• InChIKey: UINCATJSGOCQJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(5-ethylfuran-2-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[(5-ethylfuran-2-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(5-ethyl-2-furyl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8673872
• LogD (pH = 7.4): -0.13525365
• Log P: 1.0834866
• Molar Refractivity: 108.1955 cm^3
• Polarizability: 41.896572 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: 1.71
• LOG S: -3.45
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5