1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyrimidin-2-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 560831
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(C2(CCN(c3ncccn3)CC2)CCC1)Cc1oc(cc1)C1OCCCC1
• Canonical SMILES: C1CCC(OC1)c1ccc(o1)CN1CCCC21CCN(CC2)c1ncccn1
• InChI: InChI=1S/C22H30N4O2/c1-2-16-27-19(5-1)20-7-6-18(28-20)17-26-13-3-8-22(26)9-14-25(15-10-22)21-23-11-4-12-24-21/h4,6-7,11-12,19H,1-3,5,8-10,13-17H2
• InChIKey: CSLXYUWHVPMBGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-{[5-(oxan-2-yl)furan-2-yl]methyl}-8-(pyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 8-(2-pyrimidinyl)-1-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.39165607
• LogD (pH = 7.4): 1.2924349
• Log P: 2.6835685
• Molar Refractivity: 110.2389 cm^3
• Polarizability: 41.944782 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.24
• LOG S: -3.75
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4