8-[5-(2-chlorophenyl)furan-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 467283
• Molecular Formular: C18H16ClNO5
• Molecular Mass: 361.77634
• Monoisotopic Mass: 361.0717003
• SMILES: c1(oc(c2c(Cl)cccc2)cc1)C(=O)N1CCC2(OC(=O)OC2)CC1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)C(=O)c1ccc(o1)c1ccccc1Cl
• InChI: InChI=1S/C18H16ClNO5/c19-13-4-2-1-3-12(13)14-5-6-15(24-14)16(21)20-9-7-18(8-10-20)11-23-17(22)25-18/h1-6H,7-11H2
• InChIKey: GQMLNLWTNYUYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[5-(2-chlorophenyl)furan-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[5-(2-chlorophenyl)furan-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-[5-(2-chlorophenyl)-2-furoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.633476
• LogD (pH = 7.4): 2.633476
• Log P: 2.633476
• Molar Refractivity: 89.5592 cm^3
• Polarizability: 35.81263 Å^3
• Polar Surface Area: 68.98 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: 1.29
• LOG S: -2.94
• Polar Surface Area: 68.98 Å^2
• Rotatable Bonds: 2