2-(furan-3-carbonyl)-7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 458203
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C12(C(=O)N(Cc3ccc(cc3)C(C)C)CCC2)CN(C(=O)c2cocc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cocc1)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C23H28N2O3/c1-17(2)19-6-4-18(5-7-19)14-24-11-3-9-23(22(24)27)10-12-25(16-23)21(26)20-8-13-28-15-20/h4-8,13,15,17H,3,9-12,14,16H2,1-2H3
• InChIKey: BFNBLQPLPFELSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-3-carbonyl)-7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(furan-3-carbonyl)-7-[(4-isopropylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-furoyl)-7-(4-isopropylbenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3328748
• LogD (pH = 7.4): 3.332875
• Log P: 3.332875
• Molar Refractivity: 108.8595 cm^3
• Polarizability: 41.39319 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -4.38
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3