7-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 616388
• Molecular Formular: C17H21N3O5
• Molecular Mass: 347.36574
• Monoisotopic Mass: 347.14812079
• SMILES: c1(C(=O)N2CC3(C(=O)NC(=O)C3)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C17H21N3O5/c21-14-8-17(16(23)18-14)1-2-20(11-17)15(22)12-7-13(25-10-12)9-19-3-5-24-6-4-19/h7,10H,1-6,8-9,11H2,(H,18,21,23)
• InChIKey: RLJSPOQYYBOVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-[5-(morpholin-4-ylmethyl)-3-furoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110271
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4058099
• LogD (pH = 7.4): -1.0828319
• Log P: -1.0758168
• Molar Refractivity: 88.0766 cm^3
• Polarizability: 33.574856 Å^3
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.62
• LOG S: -1.8
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 3