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

• ChemBase ID: 780574
• Molecular Formular: C19H19ClN2O3
• Molecular Mass: 358.81876
• Monoisotopic Mass: 358.10842016
• SMILES: c1(oc(c2c(Cl)cccc2)cc1)C(=O)N1CCC2(CC(=O)NC2)CC1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)c1ccc(o1)c1ccccc1Cl
• InChI: InChI=1S/C19H19ClN2O3/c20-14-4-2-1-3-13(14)15-5-6-16(25-15)18(24)22-9-7-19(8-10-22)11-17(23)21-12-19/h1-6H,7-12H2,(H,21,23)
• InChIKey: ZKVTTYPYWCQSDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0699835
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7190546
• LogD (pH = 7.4): 1.7190546
• Log P: 1.7190547
• Molar Refractivity: 94.8036 cm^3
• Polarizability: 37.35829 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.22
• LOG S: -2.85
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 2