7-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 516465
• Molecular Formular: C21H24FN3O3
• Molecular Mass: 385.4319632
• Monoisotopic Mass: 385.18016986
• SMILES: C12(C(=O)N(Cc3ccc(F)cc3)CCC2)CN(C(=O)NCc2occc2)CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1=O)CCN(C2)C(=O)NCc1ccco1
• InChI: InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)14-24-10-2-8-21(19(24)26)9-11-25(15-21)20(27)23-13-18-3-1-12-28-18/h1,3-7,12H,2,8-11,13-15H2,(H,23,27)
• InChIKey: RZCAURKMFJYRMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(4-fluorobenzyl)-N-(2-furylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.471002
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.910998
• LogD (pH = 7.4): 1.9109981
• Log P: 1.9109982
• Molar Refractivity: 102.2781 cm^3
• Polarizability: 38.849426 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.3
• LOG S: -4.88
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4