8-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 446636
• Molecular Formular: C19H20N2O5
• Molecular Mass: 356.3725
• Monoisotopic Mass: 356.13722175
• SMILES: c1(C(=O)N2CCC3(OC(=O)NC3)CCC2)oc(cc1)Oc1ccccc1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C19H20N2O5/c22-17(15-7-8-16(25-15)24-14-5-2-1-3-6-14)21-11-4-9-19(10-12-21)13-20-18(23)26-19/h1-3,5-8H,4,9-13H2,(H,20,23)
• InChIKey: FSFLTGHHDJGJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-(5-phenoxy-2-furoyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.169385
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.839985
• LogD (pH = 7.4): 1.8399785
• Log P: 1.839985
• Molar Refractivity: 91.8292 cm^3
• Polarizability: 35.607433 Å^3
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.1
• LOG S: -4.45
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 3