1-(furan-2-yl)-2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethane-1,2-dione

• ChemBase ID: 486067
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(C(=O)c1occc1)N1CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(C(=O)c1ccco1)N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C23H28N2O3/c26-21(20-10-5-16-28-20)22(27)25-15-12-23(18-25)11-6-14-24(17-23)13-4-9-19-7-2-1-3-8-19/h1-3,5,7-8,10,16H,4,6,9,11-15,17-18H2
• InChIKey: HQFBRUZPPVYSMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethane-1,2-dione
• IUPAC Traditional name: 1-(furan-2-yl)-2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethane-1,2-dione
• Synonyms: 1-(2-furyl)-2-oxo-2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]ethanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.122860566
• LogD (pH = 7.4): 1.805467
• Log P: 3.196629
• Molar Refractivity: 109.0124 cm^3
• Polarizability: 41.98352 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -3.57
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 6