2-(5-methyl-2-phenylfuran-3-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 530850
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: c1(c(oc(c1)C)c1ccccc1)C(=O)N1CC2(C(=O)N(C(C)C)CCC2)CC1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)C(=O)c1cc(oc1c1ccccc1)C)C
• InChI: InChI=1S/C23H28N2O3/c1-16(2)25-12-7-10-23(22(25)27)11-13-24(15-23)21(26)19-14-17(3)28-20(19)18-8-5-4-6-9-18/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3
• InChIKey: SQMBKQWCDLMWIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-2-phenylfuran-3-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(5-methyl-2-phenylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-(5-methyl-2-phenyl-3-furoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.903563
• LogD (pH = 7.4): 2.9035635
• Log P: 2.9035635
• Molar Refractivity: 109.3869 cm^3
• Polarizability: 42.75639 Å^3
• Polar Surface Area: 53.76 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: 3.25
• LOG S: -4.75
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3