2-(2,5-dimethylfuran-3-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 398800
• Molecular Formular: C22H27FN2O2
• Molecular Mass: 370.4603832
• Monoisotopic Mass: 370.20565633
• SMILES: c1(C(=O)N2CC3(CN(Cc4ccc(F)cc4)CCC3)CC2)c(oc(c1)C)C
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)C(=O)c1cc(oc1C)C
• InChI: InChI=1S/C22H27FN2O2/c1-16-12-20(17(2)27-16)21(26)25-11-9-22(15-25)8-3-10-24(14-22)13-18-4-6-19(23)7-5-18/h4-7,12H,3,8-11,13-15H2,1-2H3
• InChIKey: BFVNWNKLVDIHSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylfuran-3-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(2,5-dimethylfuran-3-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2,5-dimethyl-3-furoyl)-7-(4-fluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.60172015
• LogD (pH = 7.4): 2.3757858
• Log P: 3.2255638
• Molar Refractivity: 105.3532 cm^3
• Polarizability: 39.45582 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.84
• LOG S: -4.78
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3