8-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-8-azaspiro[4.5]decane-7,9-dione

• ChemBase ID: 589420
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)CC1Oc2c(c(nc(n2)C)C)C1
• Canonical SMILES: O=C1CC2(CCCC2)CC(=O)N1CC1Oc2c(C1)c(C)nc(n2)C
• InChI: InChI=1S/C18H23N3O3/c1-11-14-7-13(24-17(14)20-12(2)19-11)10-21-15(22)8-18(9-16(21)23)5-3-4-6-18/h13H,3-10H2,1-2H3
• InChIKey: QCXALDDPXQKPRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-8-azaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 8-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-8-azaspiro[4.5]decane-7,9-dione
• Synonyms: 8-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7660064
• LogD (pH = 7.4): 1.8115946
• Log P: 1.8122082
• Molar Refractivity: 87.9283 cm^3
• Polarizability: 33.977264 Å^3
• Polar Surface Area: 72.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.7
• LOG S: -3.91
• Polar Surface Area: 72.39 Å^2
• Rotatable Bonds: 2