7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 520807
• Molecular Formular: C18H18N2O5
• Molecular Mass: 342.34592
• Monoisotopic Mass: 342.12157169
• SMILES: c1(C(=O)N2CC3(OC(=O)NC3)CCC2)oc(cc1)Oc1ccccc1
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C18H18N2O5/c21-16(20-10-4-9-18(12-20)11-19-17(22)25-18)14-7-8-15(24-14)23-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,19,22)
• InChIKey: YCFJPTGBEIMZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(5-phenoxy-2-furoyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.984352
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7800252
• LogD (pH = 7.4): 1.7800153
• Log P: 1.7800254
• Molar Refractivity: 86.9638 cm^3
• Polarizability: 33.77752 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: 2.84
• LOG S: -4.12
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 3